bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine

C178H248Fe3N6O3P6 — CID 162302548

IUPACbis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)[C@H](c1ccccc1)C1CCCC1P(C1CCCCC1)C1CCCCC1.COc1c(C)cc(P(c2cc(C)c(C)c(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)cc1C.COc1c(C)cc(P(c2cc(C)c(CO)c(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)cc1C.C[C@H](C1CCCC1[C@@H](c1ccccc1)N(C)C)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)c1.[Fe].[Fe].[Fe]
InChIInChI=1S/C32H42NO2P.C32H42NOP.2C30H38NP.C28H46NP.C26H42NP.3Fe/c1-21-16-26(17-22(2)29(21)20-34)36(27-18-23(3)32(35-7)24(4)19-27)30-15-11-14-28(30)31(33(5)6)25-12-9-8-10-13-25;1-21-17-27(18-22(2)25(21)5)35(28-19-23(3)32(34-8)24(4)20-28)30-16-12-15-29(30)31(33(6)7)26-13-10-9-11-14-26;2*1-21-15-22(2)18-26(17-21)32(27-19-23(3)16-24(4)20-27)29-14-10-13-28(29)30(31(5)6)25-11-8-7-9-12-25;1-22(30(24-16-9-5-10-17-24)25-18-11-6-12-19-25)26-20-13-21-27(26)28(29(2)3)23-14-7-4-8-15-23;1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;;;/h8-10,12-13,16-19,28,30-31,34H,11,14-15,20H2,1-7H3;9-11,13-14,17-20,29-31H,12,15-16H2,1-8H3;2*7-9,11-12,15-20,28-30H,10,13-14H2,1-6H3;4,7-8,14-15,22,24-28H,5-6,9-13,16-21H2,1-3H3;3,6-7,13-14,22-26H,4-5,8-12,15-20H2,1-2H3;;;/t28?,30?,31-,36?;29?,30?,31-,35?;2*28?,29?,30-;22-,26?,27?,28-;24?,25?,26-;;;/m111111.../s1
InChIKeyIOPWWMNHCWYDTD-SSHBRUIMSA-N
MW2873.36 g/mol
LogP42.96
Rot. Bonds40

About bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine

bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine (PubChem CID 162302548) has the molecular formula C178H248Fe3N6O3P6 and a molecular weight of 2873.36 g/mol. Its IUPAC name is bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Namebis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
PubChem CID162302548
Molecular FormulaC178H248Fe3N6O3P6
Molecular Weight2873.36 g/mol
Exact Mass2871.59
IUPAC Namebis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)[C@H](c1ccccc1)C1CCCC1P(C1CCCCC1)C1CCCCC1.COc1c(C)cc(P(c2cc(C)c(C)c(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)cc1C.COc1c(C)cc(P(c2cc(C)c(CO)c(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)cc1C.C[C@H](C1CCCC1[C@@H](c1ccccc1)N(C)C)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)c1.[Fe].[Fe].[Fe]
InChIInChI=1S/C32H42NO2P.C32H42NOP.2C30H38NP.C28H46NP.C26H42NP.3Fe/c1-21-16-26(17-22(2)29(21)20-34)36(27-18-23(3)32(35-7)24(4)19-27)30-15-11-14-28(30)31(33(5)6)25-12-9-8-10-13-25;1-21-17-27(18-22(2)25(21)5)35(28-19-23(3)32(34-8)24(4)20-28)30-16-12-15-29(30)31(33(6)7)26-13-10-9-11-14-26;2*1-21-15-22(2)18-26(17-21)32(27-19-23(3)16-24(4)20-27)29-14-10-13-28(29)30(31(5)6)25-11-8-7-9-12-25;1-22(30(24-16-9-5-10-17-24)25-18-11-6-12-19-25)26-20-13-21-27(26)28(29(2)3)23-14-7-4-8-15-23;1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;;;/h8-10,12-13,16-19,28,30-31,34H,11,14-15,20H2,1-7H3;9-11,13-14,17-20,29-31H,12,15-16H2,1-8H3;2*7-9,11-12,15-20,28-30H,10,13-14H2,1-6H3;4,7-8,14-15,22,24-28H,5-6,9-13,16-21H2,1-3H3;3,6-7,13-14,22-26H,4-5,8-12,15-20H2,1-2H3;;;/t28?,30?,31-,36?;29?,30?,31-,35?;2*28?,29?,30-;22-,26?,27?,28-;24?,25?,26-;;;/m111111.../s1
InChIKeyIOPWWMNHCWYDTD-SSHBRUIMSA-N
XLogP42.96
TPSA58.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds40
Heavy Atoms196
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002873.36
LogP ≤ 542.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine (CID 162302548) is bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine is CN(C)[C@H](c1ccccc1)C1CCCC1P(C1CCCCC1)C1CCCCC1.COc1c(C)cc(P(c2cc(C)c(C)c(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)cc1C.COc1c(C)cc(P(c2cc(C)c(CO)c(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)cc1C.C[C@H](C1CCCC1[C@@H](c1ccccc1)N(C)C)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C2CCCC2[C@@H](c2ccccc2)N(C)C)c1.[Fe].[Fe].[Fe].
What is the InChIKey of bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is IOPWWMNHCWYDTD-SSHBRUIMSA-N. The full InChI is InChI=1S/C32H42NO2P.C32H42NOP.2C30H38NP.C28H46NP.C26H42NP.3Fe/c1-21-16-26(17-22(2)29(21)20-34)36(27-18-23(3)32(35-7)24(4)19-27)30-15-11-14-28(30)31(33(5)6)25-12-9-8-10-13-25;1-21-17-27(18-22(2)25(21)5)35(28-19-23(3)32(34-8)24(4)20-28)30-16-12-15-29(30)31(33(6)7)26-13-10-9-11-14-26;2*1-21-15-22(2)18-26(17-21)32(27-19-23(3)16-24(4)20-27)29-14-10-13-28(29)30(31(5)6)25-11-8-7-9-12-25;1-22(30(24-16-9-5-10-17-24)25-18-11-6-12-19-25)26-20-13-21-27(26)28(29(2)3)23-14-7-4-8-15-23;1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;;;/h8-10,12-13,16-19,28,30-31,34H,11,14-15,20H2,1-7H3;9-11,13-14,17-20,29-31H,12,15-16H2,1-8H3;2*7-9,11-12,15-20,28-30H,10,13-14H2,1-6H3;4,7-8,14-15,22,24-28H,5-6,9-13,16-21H2,1-3H3;3,6-7,13-14,22-26H,4-5,8-12,15-20H2,1-2H3;;;/t28?,30?,31-,36?;29?,30?,31-,35?;2*28?,29?,30-;22-,26?,27?,28-;24?,25?,26-;;;/m111111.../s1.
What are the key properties of bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine?
bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 2873.36 g/mol, XLogP of 42.96, 40 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 162302548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).