[4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide

C158H180Cl2Fe2N6O10P8 — CID 162285372

About [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide

[4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide (PubChem CID 162285372) has the molecular formula C158H180Cl2Fe2N6O10P8 and a molecular weight of 2753.60 g/mol. Its IUPAC name is [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide
• PubChem CID: 162285372
• Molecular Formula: C158H180Cl2Fe2N6O10P8
• Molecular Weight: 2753.60 g/mol
• Exact Mass: 2750.97
• IUPAC Name: [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide
• SMILES: C1CCCC1.C1CCCC1.CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCN2C.C[C@H]1[C@@H](O)[C@H](O)[C@H](C)P1c1ccccc1P1[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1C.Cc1c(Cl)ccc(P(c2ccccc2)c2ccccc2)c1-c1c(P(c2ccccc2)c2ccccc2)ccc(Cl)c1C.Cc1ccc2c(c1-c1c(C)ccc3c1OCCN3C)OCCN2C.O=C(N[C@H]1CCCC[C@@H]1NC(=O)C1CCCC1Pc1ccccc1)C1CCCC1Pc1ccccc1.[Fe].[Fe]
• InChI: InChI=1S/C42H38N2O2P2.C38H30Cl2P2.C30H40N2O2P2.C20H24N2O2.C18H28O4P2.2C5H10.2Fe/c1-43-27-29-45-41-35(43)23-25-37(47(31-15-7-3-8-16-31)32-17-9-4-10-18-32)39(41)40-38(26-24-36-42(40)46-30-28-44(36)2)48(33-19-11-5-12-20-33)34-21-13-6-14-22-34;1-27-33(39)23-25-35(41(29-15-7-3-8-16-29)30-17-9-4-10-18-30)37(27)38-28(2)34(40)24-26-36(38)42(31-19-11-5-12-20-31)32-21-13-6-14-22-32;33-29(23-15-9-19-27(23)35-21-11-3-1-4-12-21)31-25-17-7-8-18-26(25)32-30(34)24-16-10-20-28(24)36-22-13-5-2-6-14-22;1-13-5-7-15-19(23-11-9-21(15)3)17(13)18-14(2)6-8-16-20(18)24-12-10-22(16)4;1-9-15(19)16(20)10(2)23(9)13-7-5-6-8-14(13)24-11(3)17(21)18(22)12(24)4;2*1-2-4-5-3-1;;/h3-26H,27-30H2,1-2H3;3-26H,1-2H3;1-6,11-14,23-28,35-36H,7-10,15-20H2,(H,31,33)(H,32,34);5-8H,9-12H2,1-4H3;5-12,15-22H,1-4H3;2*1-5H2;;/t;;23?,24?,25-,26-,27?,28?;;9-,10-,11-,12-,15+,16+,17+,18+;;;;/m..0.0..../s1
• InChIKey: KEQUGTJBVKERSN-XTYFVNMBSA-N
• XLogP: 28.65
• TPSA: 189.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2753.60
LogP ≤ 5	28.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide?

The IUPAC name of [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide (CID 162285372) is [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide.

What is the SMILES notation for [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide?

The canonical SMILES for [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide is C1CCCC1.C1CCCC1.CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCN2C.C[C@H]1[C@@H](O)[C@H](O)[C@H](C)P1c1ccccc1P1[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1C.Cc1c(Cl)ccc(P(c2ccccc2)c2ccccc2)c1-c1c(P(c2ccccc2)c2ccccc2)ccc(Cl)c1C.Cc1ccc2c(c1-c1c(C)ccc3c1OCCN3C)OCCN2C.O=C(N[C@H]1CCCC[C@@H]1NC(=O)C1CCCC1Pc1ccccc1)C1CCCC1Pc1ccccc1.[Fe].[Fe].

What is the InChIKey of [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide?

The InChIKey is KEQUGTJBVKERSN-XTYFVNMBSA-N. The full InChI is InChI=1S/C42H38N2O2P2.C38H30Cl2P2.C30H40N2O2P2.C20H24N2O2.C18H28O4P2.2C5H10.2Fe/c1-43-27-29-45-41-35(43)23-25-37(47(31-15-7-3-8-16-31)32-17-9-4-10-18-32)39(41)40-38(26-24-36-42(40)46-30-28-44(36)2)48(33-19-11-5-12-20-33)34-21-13-6-14-22-34;1-27-33(39)23-25-35(41(29-15-7-3-8-16-29)30-17-9-4-10-18-30)37(27)38-28(2)34(40)24-26-36(38)42(31-19-11-5-12-20-31)32-21-13-6-14-22-32;33-29(23-15-9-19-27(23)35-21-11-3-1-4-12-21)31-25-17-7-8-18-26(25)32-30(34)24-16-10-20-28(24)36-22-13-5-2-6-14-22;1-13-5-7-15-19(23-11-9-21(15)3)17(13)18-14(2)6-8-16-20(18)24-12-10-22(16)4;1-9-15(19)16(20)10(2)23(9)13-7-5-6-8-14(13)24-11(3)17(21)18(22)12(24)4;2*1-2-4-5-3-1;;/h3-26H,27-30H2,1-2H3;3-26H,1-2H3;1-6,11-14,23-28,35-36H,7-10,15-20H2,(H,31,33)(H,32,34);5-8H,9-12H2,1-4H3;5-12,15-22H,1-4H3;2*1-5H2;;/t;;23?,24?,25-,26-,27?,28?;;9-,10-,11-,12-,15+,16+,17+,18+;;;;/m..0.0..../s1.

What are the key properties of [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide?

[4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide has a molecular weight of 2753.60 g/mol, XLogP of 28.65, 25 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methylphenyl)-3-methylphenyl]-diphenylphosphane;bis(cyclopentane);(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;8-(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;iron;2-phenylphosphanyl-N-[(1S,2S)-2-[(2-phenylphosphanylcyclopentanecarbonyl)amino]cyclohexyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 162285372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).