cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron

C43H63FeNP2-6 — CID 174614732

IUPACcyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron
SMILESCN(C)[C@@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)[c-]1c(P)cc(C2CCCCC2)c1C1CCCCC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C38H58NP2.C5H5.Fe/c1-39(2)38(37-34(40)27-33(28-17-7-3-8-18-28)36(37)29-19-9-4-10-20-29)32-25-15-16-26-35(32)41(30-21-11-5-12-22-30)31-23-13-6-14-24-31;1-2-4-5-3-1;/h15-16,25-31,38H,3-14,17-24,40H2,1-2H3;1-5H;/q-1;-5;/t38-;;/m0../s1
InChIKeyNSXGIXLPBDLABC-ZCLNGFLVSA-N
MW711.78 g/mol
LogP11.83
Rot. Bonds8

About cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron

cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron (PubChem CID 174614732) has the molecular formula C43H63FeNP2-6 and a molecular weight of 711.78 g/mol. Its IUPAC name is cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron.

Molecular Properties

Compound Namecyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron
PubChem CID174614732
Molecular FormulaC43H63FeNP2-6
Molecular Weight711.78 g/mol
Exact Mass711.38
IUPAC Namecyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron
SMILESCN(C)[C@@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)[c-]1c(P)cc(C2CCCCC2)c1C1CCCCC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C38H58NP2.C5H5.Fe/c1-39(2)38(37-34(40)27-33(28-17-7-3-8-18-28)36(37)29-19-9-4-10-20-29)32-25-15-16-26-35(32)41(30-21-11-5-12-22-30)31-23-13-6-14-24-31;1-2-4-5-3-1;/h15-16,25-31,38H,3-14,17-24,40H2,1-2H3;1-5H;/q-1;-5;/t38-;;/m0../s1
InChIKeyNSXGIXLPBDLABC-ZCLNGFLVSA-N
XLogP11.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.78
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
The IUPAC name of cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron (CID 174614732) is cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron.
What is the SMILES notation for cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
The canonical SMILES for cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron is CN(C)[C@@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)[c-]1c(P)cc(C2CCCCC2)c1C1CCCCC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
The InChIKey is NSXGIXLPBDLABC-ZCLNGFLVSA-N. The full InChI is InChI=1S/C38H58NP2.C5H5.Fe/c1-39(2)38(37-34(40)27-33(28-17-7-3-8-18-28)36(37)29-19-9-4-10-20-29)32-25-15-16-26-35(32)41(30-21-11-5-12-22-30)31-23-13-6-14-24-31;1-2-4-5-3-1;/h15-16,25-31,38H,3-14,17-24,40H2,1-2H3;1-5H;/q-1;-5;/t38-;;/m0../s1.
What are the key properties of cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron has a molecular weight of 711.78 g/mol, XLogP of 11.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(1R)-1-(2,3-dicyclohexyl-5-phosphanylcyclopenta-2,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron is sourced from PubChem (CID 174614732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).