2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane

C183H144N4O7P8 — CID 161052719

IUPAC2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane
SMILESCn1c(-c2ccccc2)nc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(O)c1ccccc1-c1cccc(P(c2ccccc2)c2ccccc2)c1.O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.Oc1ccccc1-c1cccc(P(c2ccccc2)c2ccccc2)c1.Oc1ccccc1P(c1ccccc1)c1ccccc1.c1ccc(Oc2cccc(P(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(P(c2ccccc2)c2cccc3c2-c2ncccc2C3)cc1.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccn2)cc1
InChIInChI=1S/C26H21N2P.C25H19O2P.C24H18NP.2C24H19OP.C23H18NP.C19H15O2P.C18H15OP/c1-28-23-18-11-19-24(25(23)27-26(28)20-12-5-2-6-13-20)29(21-14-7-3-8-15-21)22-16-9-4-10-17-22;26-25(27)24-17-8-7-16-23(24)19-10-9-15-22(18-19)28(20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-3-11-20(12-4-1)26(21-13-5-2-6-14-21)22-15-7-9-18-17-19-10-8-16-25-24(19)23(18)22;1-4-11-20(12-5-1)25-21-13-10-18-24(19-21)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23;25-24-17-8-7-16-23(24)19-10-9-15-22(18-19)26(20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-8-7-15-21(23)22-16-9-10-18-24-22;20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h2-19H,1H3;1-18H,(H,26,27);1-16H,17H2;1-19H;1-18,25H;1-18H;1-14H,(H,20,21);1-14,19H
InChIKeyUCIUQZGAFKOFOB-UHFFFAOYSA-N
MW2758.98 g/mol
LogP35.07
Rot. Bonds32

About 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane

2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane (PubChem CID 161052719) has the molecular formula C183H144N4O7P8 and a molecular weight of 2758.98 g/mol. Its IUPAC name is 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane.

Molecular Properties

Compound Name2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane
PubChem CID161052719
Molecular FormulaC183H144N4O7P8
Molecular Weight2758.98 g/mol
Exact Mass2756.89
IUPAC Name2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane
SMILESCn1c(-c2ccccc2)nc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(O)c1ccccc1-c1cccc(P(c2ccccc2)c2ccccc2)c1.O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.Oc1ccccc1-c1cccc(P(c2ccccc2)c2ccccc2)c1.Oc1ccccc1P(c1ccccc1)c1ccccc1.c1ccc(Oc2cccc(P(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(P(c2ccccc2)c2cccc3c2-c2ncccc2C3)cc1.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccn2)cc1
InChIInChI=1S/C26H21N2P.C25H19O2P.C24H18NP.2C24H19OP.C23H18NP.C19H15O2P.C18H15OP/c1-28-23-18-11-19-24(25(23)27-26(28)20-12-5-2-6-13-20)29(21-14-7-3-8-15-21)22-16-9-4-10-17-22;26-25(27)24-17-8-7-16-23(24)19-10-9-15-22(18-19)28(20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-3-11-20(12-4-1)26(21-13-5-2-6-14-21)22-15-7-9-18-17-19-10-8-16-25-24(19)23(18)22;1-4-11-20(12-5-1)25-21-13-10-18-24(19-21)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23;25-24-17-8-7-16-23(24)19-10-9-15-22(18-19)26(20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-8-7-15-21(23)22-16-9-10-18-24-22;20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h2-19H,1H3;1-18H,(H,26,27);1-16H,17H2;1-19H;1-18,25H;1-18H;1-14H,(H,20,21);1-14,19H
InChIKeyUCIUQZGAFKOFOB-UHFFFAOYSA-N
XLogP35.07
TPSA167.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds32
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002758.98
LogP ≤ 535.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane?
The IUPAC name of 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane (CID 161052719) is 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane.
What is the SMILES notation for 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane?
The canonical SMILES for 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane is Cn1c(-c2ccccc2)nc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(O)c1ccccc1-c1cccc(P(c2ccccc2)c2ccccc2)c1.O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1.Oc1ccccc1-c1cccc(P(c2ccccc2)c2ccccc2)c1.Oc1ccccc1P(c1ccccc1)c1ccccc1.c1ccc(Oc2cccc(P(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(P(c2ccccc2)c2cccc3c2-c2ncccc2C3)cc1.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccn2)cc1.
What is the InChIKey of 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane?
The InChIKey is UCIUQZGAFKOFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N2P.C25H19O2P.C24H18NP.2C24H19OP.C23H18NP.C19H15O2P.C18H15OP/c1-28-23-18-11-19-24(25(23)27-26(28)20-12-5-2-6-13-20)29(21-14-7-3-8-15-21)22-16-9-4-10-17-22;26-25(27)24-17-8-7-16-23(24)19-10-9-15-22(18-19)28(20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-3-11-20(12-4-1)26(21-13-5-2-6-14-21)22-15-7-9-18-17-19-10-8-16-25-24(19)23(18)22;1-4-11-20(12-5-1)25-21-13-10-18-24(19-21)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23;25-24-17-8-7-16-23(24)19-10-9-15-22(18-19)26(20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-8-7-15-21(23)22-16-9-10-18-24-22;20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h2-19H,1H3;1-18H,(H,26,27);1-16H,17H2;1-19H;1-18,25H;1-18H;1-14H,(H,20,21);1-14,19H.
What are the key properties of 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane?
2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane has a molecular weight of 2758.98 g/mol, XLogP of 35.07, 32 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylbenzoic acid;2-diphenylphosphanylphenol;2-(3-diphenylphosphanylphenyl)benzoic acid;2-(3-diphenylphosphanylphenyl)phenol;diphenyl-(2-pyridin-2-ylphenyl)phosphane;5H-indeno[1,2-b]pyridin-9-yl(diphenyl)phosphane;(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane;(3-phenoxyphenyl)-diphenylphosphane is sourced from PubChem (CID 161052719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).