81219 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 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 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 3 4 4 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 25 26 27 28 29 4 6 7 5 8 9 4 5 30 31 32 33 34 35 10 14 11 15 12 16 13 17 18 36 19 37 20 38 21 39 22 40 23 41 24 42 25 43 26 44 27 45 28 46 29 47 26 48 27 49 28 50 29 51 52 53 54 55 1 1 1 1 1 1 1 1 1 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 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 4.5981 6.3301 5.4641 4.5981 5.4641 3.732 5.4641 6.3301 7.1962 3.732 5.4641 5.4641 7.1962 2.866 6.3301 7.1962 8.0622 2.866 6.3301 5.4641 8.0622 2 7.1962 7.1962 8.9282 2 7.1962 6.3301 8.9282 6.0747 5.6762 3.9875 4.386 4.8535 5.252 4.269 4.9272 4.9272 6.6592 2.866 6.3301 7.7331 8.0622 2.866 6.3301 4.9272 8.0622 1.4631 7.7331 7.7331 9.4651 1.4631 7.7331 6.3301 9.4651 2 -1 0.5 1 -0.5 2.5 2.5 -2 -0.5 3.5 3.5 -2.5 0.5 2 2 -2.5 -1 4 4 -3.5 1 2.5 2.5 -3.5 -0.5 3.5 3.5 -4 0.5 0.3923 1.0826 1.1077 0.4174 -0.3923 -1.0826 3.81 3.81 -2.19 0.81 1.38 1.38 -2.19 -1.62 4.62 4.62 -3.81 1.62 2.19 2.19 -3.81 -0.81 3.81 3.81 -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 6 6 7 7 8 8 9 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 10 14 11 15 12 16 13 17 18 19 20 21 22 23 24 25 26 27 28 29 26 27 28 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 350 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07800030000000000000000000000000000000000003060C18000000000000154000018080000000008008810003000800000208000204200000200002000000888000000880820228011108020002080000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-diphenylphosphanylpropyl(diphenyl)phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-diphenylphosphinopropyl(diphenyl)phosphine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-diphenylphosphanylpropyl(diphenyl)phosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-diphenylphosphanylpropyl(diphenyl)phosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-diphenylphosphanylpropyl(diphenyl)phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-diphenylphosphinopropyl(diphenyl)phosphine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LVEYOSJUKRVCCF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 412.15097482 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C27H26P2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 412.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 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 2021.10.14 412.15097482 29 0 0 0 0 0 0 0 1 -1