bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine

C181H232Fe3N6O3P6 — CID 162272507

IUPACbis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
SMILESC.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(OC)c(C)c2)C2CCCC2[C@H](c2ccccc2)N(C)C)cc1C.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.Cc1ccccc1P(c1ccccc1C)C1CCCC1[C@@H](c1ccccc1)N(C)C.Cc1ccccc1P(c1ccccc1C)C1CCCC1[C@@H](c1ccccc1)N(C)C.[Fe].[Fe].[Fe]
InChIInChI=1S/C32H42NO2P.C32H42NOP.2C30H38NP.2C28H34NP.CH4.3Fe/c1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;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;2*1-21-13-8-10-18-25(21)30(26-19-11-9-14-22(26)2)27-20-12-17-24(27)28(29(3)4)23-15-6-5-7-16-23;;;;/h9-11,13-14,17-20,28-30H,12,15-16H2,1-8H3;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;2*5-11,13-16,18-19,24,27-28H,12,17,20H2,1-4H3;1H4;;;/t28?,29?,30-;29?,30?,31-,35?;2*28?,29?,30-;2*24?,27?,28-;;;;/m001111..../s1
InChIKeyKBJUMLHZDDFITQ-XFXKFKLGSA-N
MW2893.26 g/mol
LogP40.68
Rot. Bonds39

About bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine (PubChem CID 162272507) has the molecular formula C181H232Fe3N6O3P6 and a molecular weight of 2893.26 g/mol. Its IUPAC name is bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
PubChem CID162272507
Molecular FormulaC181H232Fe3N6O3P6
Molecular Weight2893.26 g/mol
Exact Mass2891.47
IUPAC Namebis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
SMILESC.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(OC)c(C)c2)C2CCCC2[C@H](c2ccccc2)N(C)C)cc1C.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.Cc1ccccc1P(c1ccccc1C)C1CCCC1[C@@H](c1ccccc1)N(C)C.Cc1ccccc1P(c1ccccc1C)C1CCCC1[C@@H](c1ccccc1)N(C)C.[Fe].[Fe].[Fe]
InChIInChI=1S/C32H42NO2P.C32H42NOP.2C30H38NP.2C28H34NP.CH4.3Fe/c1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;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;2*1-21-13-8-10-18-25(21)30(26-19-11-9-14-22(26)2)27-20-12-17-24(27)28(29(3)4)23-15-6-5-7-16-23;;;;/h9-11,13-14,17-20,28-30H,12,15-16H2,1-8H3;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;2*5-11,13-16,18-19,24,27-28H,12,17,20H2,1-4H3;1H4;;;/t28?,29?,30-;29?,30?,31-,35?;2*28?,29?,30-;2*24?,27?,28-;;;;/m001111..../s1
InChIKeyKBJUMLHZDDFITQ-XFXKFKLGSA-N
XLogP40.68
TPSA47.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds39
Heavy Atoms199
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002893.26
LogP ≤ 540.68
H-Bond Donors ≤ 50
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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine (CID 162272507) is bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine is C.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(OC)c(C)c2)C2CCCC2[C@H](c2ccccc2)N(C)C)cc1C.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.Cc1ccccc1P(c1ccccc1C)C1CCCC1[C@@H](c1ccccc1)N(C)C.Cc1ccccc1P(c1ccccc1C)C1CCCC1[C@@H](c1ccccc1)N(C)C.[Fe].[Fe].[Fe].
What is the InChIKey of bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is KBJUMLHZDDFITQ-XFXKFKLGSA-N. The full InChI is InChI=1S/C32H42NO2P.C32H42NOP.2C30H38NP.2C28H34NP.CH4.3Fe/c1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;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;2*1-21-13-8-10-18-25(21)30(26-19-11-9-14-22(26)2)27-20-12-17-24(27)28(29(3)4)23-15-6-5-7-16-23;;;;/h9-11,13-14,17-20,28-30H,12,15-16H2,1-8H3;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;2*5-11,13-16,18-19,24,27-28H,12,17,20H2,1-4H3;1H4;;;/t28?,29?,30-;29?,30?,31-,35?;2*28?,29?,30-;2*24?,27?,28-;;;;/m001111..../s1.
What are the key properties of bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 2893.26 g/mol, XLogP of 40.68, 39 rotatable bonds, 0 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);(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;bis((1S)-1-[2-bis(2-methylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);iron;methane;(1R)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 162272507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).