76760432 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 29 15 15 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 1 2 2 2 2 3 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 29 30 31 32 32 33 34 34 35 35 36 36 37 38 38 39 39 40 40 41 41 42 43 6 8 9 48 7 10 11 49 32 42 33 43 7 44 45 46 47 12 16 13 17 14 18 15 19 20 50 21 51 22 52 23 53 24 54 25 55 26 56 27 57 28 58 29 59 30 60 31 61 28 62 29 63 30 64 31 65 66 67 68 69 33 34 35 36 38 37 39 37 70 71 40 72 41 73 42 74 43 75 76 77 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 0 3.9251 6.4251 6.7074 4.9634 4.9251 5.4251 3.9251 3.9251 7.4251 6.4251 3.0591 4.7911 7.9251 5.5591 4.7911 3.0591 7.9251 7.2911 3.0591 4.7911 8.9251 5.5591 4.7911 3.0591 8.9251 7.2911 3.9251 3.9251 9.4251 6.4251 6.7234 5.8574 7.5894 5.8574 7.5894 6.7234 8.4994 4.9634 8.5075 4.0574 7.6054 4.0574 5.5077 4.8174 4.8425 5.5328 3.3051 6.4251 2.5221 5.3281 7.6151 5.0221 5.3281 2.5221 7.6151 7.8281 2.5221 5.3281 9.2351 5.0221 5.3281 2.5221 9.2351 7.8281 3.9251 3.9251 10.0451 6.4251 8.1264 6.7234 9.0328 4.9706 9.0456 3.5216 7.603 3.5216 7.2316 4.486 3.62 13.8199 12.813 4.486 3.62 3.486 5.486 3.62 2.62 2.986 5.986 2.754 2.12 2.986 5.986 4.486 2.12 1.986 6.986 2.754 1.12 1.986 6.986 4.486 1.12 1.486 7.486 3.62 0.62 12.7784 12.2784 12.2784 11.2784 11.2784 10.7784 12.7852 10.7437 13.8268 11.2575 14.3476 12.2992 4.6981 5.0966 3.408 3.0094 4.486 4.24 3.296 5.676 2.217 2.43 3.296 5.676 5.023 2.43 1.676 7.296 2.217 0.81 1.676 7.296 5.023 0.81 0.866 8.106 3.62 0 10.9684 10.1584 12.469 10.1237 14.1347 10.9455 14.9676 12.6112 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 8 8 9 9 10 10 11 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 32 32 33 34 34 35 35 36 38 39 40 41 32 42 33 43 12 16 13 17 14 18 15 19 20 21 22 23 24 25 26 27 28 29 30 31 28 29 30 31 33 34 35 36 38 37 39 37 40 41 42 43 2 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 519 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07F00030000000400000000000000000000000000003C78C1830000000000B1FE00001C08000000100C08C91E043CC0F2081020A0033467440082802431122008D8203874980860E2C09191942008608000C8C8071080C00E40000040000200208000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-diphenylphosphaniumylethyl(diphenyl)phosphonium;1,10-phenanthroline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-diphenylphosphiniumylethyl(diphenyl)phosphonium;1,10-phenanthroline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1,10-phenanthroline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1,10-phenanthroline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1,10-phenanthroline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-diphenylphosphiniumylethyl(diphenyl)phosphonium;1,10-phenanthroline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H24P2.C12H8N2.Cu/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-20H,21-22H2;1-8H;/p+2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CRGBMJZNNJJQJB-UHFFFAOYSA-P Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 643.149320 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C38H34CuN2P2+2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 644.2 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 25.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 643.149320 43 0 0 0 0 0 0 0 3 -1