(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron

C164H202Fe4N3O2P7 — CID 162302535

IUPAC(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron
SMILESC1CCCC1.C1CCCC1.C1CCCC1.CC1CCCC1[C@@H](O)c1ccccc1P(c1ccccc1)c1ccccc1.CN(C)[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.C[C@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.C[C@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H](O)C2CCCC2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C44H50OP2.C38H39NP2.C25H27OP.2C21H28NP.3C5H10.4Fe/c1-28-16-29(2)21-36(20-28)46(37-22-30(3)17-31(4)23-37)42-14-10-9-12-40(42)44(45)41-13-11-15-43(41)47(38-24-32(5)18-33(6)25-38)39-26-34(7)19-35(8)27-39;1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31;1-19-11-10-17-22(19)25(26)23-16-8-9-18-24(23)27(20-12-4-2-5-13-20)21-14-6-3-7-15-21;2*1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;3*1-2-4-5-3-1;;;;/h9-10,12,14,16-27,41,43-45H,11,13,15H2,1-8H3;3-16,18-26,28,35,37-38H,17,27,29H2,1-2H3;2-9,12-16,18-19,22,25-26H,10-11,17H2,1H3;2*4-9,11-14,17,20-21H,10,15-16H2,1-3H3;3*1-5H2;;;;/t41?,43?,44-;35?,37?,38-;19?,22?,25-;2*17-,20?,21?;;;;;;;/m11111......./s1
InChIKeyREOOPIIUJUHNGN-OPIQWBGQSA-N
MW2687.64 g/mol
LogP35.83
Rot. Bonds32

About (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron

(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron (PubChem CID 162302535) has the molecular formula C164H202Fe4N3O2P7 and a molecular weight of 2687.64 g/mol. Its IUPAC name is (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron.

Molecular Properties

Compound Name(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron
PubChem CID162302535
Molecular FormulaC164H202Fe4N3O2P7
Molecular Weight2687.64 g/mol
Exact Mass2686.14
IUPAC Name(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron
SMILESC1CCCC1.C1CCCC1.C1CCCC1.CC1CCCC1[C@@H](O)c1ccccc1P(c1ccccc1)c1ccccc1.CN(C)[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.C[C@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.C[C@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H](O)C2CCCC2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C44H50OP2.C38H39NP2.C25H27OP.2C21H28NP.3C5H10.4Fe/c1-28-16-29(2)21-36(20-28)46(37-22-30(3)17-31(4)23-37)42-14-10-9-12-40(42)44(45)41-13-11-15-43(41)47(38-24-32(5)18-33(6)25-38)39-26-34(7)19-35(8)27-39;1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31;1-19-11-10-17-22(19)25(26)23-16-8-9-18-24(23)27(20-12-4-2-5-13-20)21-14-6-3-7-15-21;2*1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;3*1-2-4-5-3-1;;;;/h9-10,12,14,16-27,41,43-45H,11,13,15H2,1-8H3;3-16,18-26,28,35,37-38H,17,27,29H2,1-2H3;2-9,12-16,18-19,22,25-26H,10-11,17H2,1H3;2*4-9,11-14,17,20-21H,10,15-16H2,1-3H3;3*1-5H2;;;;/t41?,43?,44-;35?,37?,38-;19?,22?,25-;2*17-,20?,21?;;;;;;;/m11111......./s1
InChIKeyREOOPIIUJUHNGN-OPIQWBGQSA-N
XLogP35.83
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds32
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002687.64
LogP ≤ 535.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron with MolForge

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Frequently Asked Questions

What is the IUPAC name of (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron?
The IUPAC name of (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron (CID 162302535) is (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron.
What is the SMILES notation for (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron?
The canonical SMILES for (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron is C1CCCC1.C1CCCC1.C1CCCC1.CC1CCCC1[C@@H](O)c1ccccc1P(c1ccccc1)c1ccccc1.CN(C)[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.C[C@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.C[C@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H](O)C2CCCC2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron?
The InChIKey is REOOPIIUJUHNGN-OPIQWBGQSA-N. The full InChI is InChI=1S/C44H50OP2.C38H39NP2.C25H27OP.2C21H28NP.3C5H10.4Fe/c1-28-16-29(2)21-36(20-28)46(37-22-30(3)17-31(4)23-37)42-14-10-9-12-40(42)44(45)41-13-11-15-43(41)47(38-24-32(5)18-33(6)25-38)39-26-34(7)19-35(8)27-39;1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31;1-19-11-10-17-22(19)25(26)23-16-8-9-18-24(23)27(20-12-4-2-5-13-20)21-14-6-3-7-15-21;2*1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;3*1-2-4-5-3-1;;;;/h9-10,12,14,16-27,41,43-45H,11,13,15H2,1-8H3;3-16,18-26,28,35,37-38H,17,27,29H2,1-2H3;2-9,12-16,18-19,22,25-26H,10-11,17H2,1H3;2*4-9,11-14,17,20-21H,10,15-16H2,1-3H3;3*1-5H2;;;;/t41?,43?,44-;35?,37?,38-;19?,22?,25-;2*17-,20?,21?;;;;;;;/m11111......./s1.
What are the key properties of (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron?
(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron has a molecular weight of 2687.64 g/mol, XLogP of 35.83, 32 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron is sourced from PubChem (CID 162302535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).