90192 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 15 15 15 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 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 26 26 27 27 28 28 29 29 30 30 31 31 32 32 33 33 34 35 36 37 4 5 8 6 9 10 7 11 12 6 38 39 7 40 41 42 43 44 45 13 14 15 19 16 20 17 21 18 22 23 46 24 47 26 48 27 49 28 50 29 51 30 52 31 53 32 54 33 55 25 56 25 57 58 34 59 35 60 36 61 37 62 34 63 35 64 36 65 37 66 67 68 69 70 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 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 7.1962 4.5981 8.9282 6.3301 8.0622 5.4641 8.0622 7.1962 3.732 4.5981 8.9282 9.7942 8.0622 6.3301 3.732 5.4641 9.7942 10.6603 2.866 3.732 8.0622 9.7942 8.0622 6.3301 7.1962 2.866 5.4641 9.7942 11.5263 2 3.732 8.0622 10.6603 2 4.5981 8.9282 11.5263 5.9316 6.7287 8.6728 8.2742 5.8626 5.0656 7.4516 7.8501 8.5991 5.7932 4.269 6.001 10.3312 10.6603 2.866 3.1951 7.5252 9.2573 8.5991 5.7932 7.1962 2.866 6.001 10.3312 12.0632 1.4631 3.1951 7.5252 10.6603 1.4631 4.5981 8.9282 12.0632 1 0.5 -1 0.5 0.5 1 -0.5 2 1 -0.5 -2 -0.5 2.5 2.5 2 -1 -2.5 -1 0.5 -1 -2.5 0.5 3.5 3.5 4 2.5 -2 -3.5 -0.5 1 -2 -3.5 1 2 -2.5 -4 0.5 0.0251 0.0251 0.3923 1.0826 1.475 1.475 -0.3923 -1.0826 2.19 2.19 2.31 -0.69 -2.19 -1.62 -0.12 -0.69 -2.19 0.81 3.81 3.81 4.62 3.12 -2.31 -3.81 -0.81 0.69 -2.31 -3.81 1.62 2.31 -3.12 -4.62 0.81 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 9 9 10 10 11 11 12 12 13 14 15 16 17 18 19 20 21 22 23 24 26 27 28 29 30 31 32 33 13 14 15 19 16 20 17 21 18 22 23 24 26 27 28 29 30 31 32 33 25 25 34 35 36 37 34 35 36 37 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 512 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07C00030000000000000000000000000000000000003060C18300000000000154000018080000000008008810003000800000208000204200000200002000000888000000880820228011108020002080000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(2-diphenylphosphanylethyl)-phenyl-phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(2-diphenylphosphinoethyl)-phenylphosphine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(2-diphenylphosphanylethyl)-phenylphosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(2-diphenylphosphanylethyl)-phenylphosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(2-diphenylphosphanylethyl)-phenyl-phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(2-diphenylphosphinoethyl)-phenyl-phosphine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AXVOAMVQOCBPQT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 534.17951205 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C34H33P3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 534.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 534.17951205 37 0 0 0 0 0 0 0 1 -1