cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron

C36H54FeP2 — CID 155887361

IUPACcyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
SMILESC1CCCC1.CC(C1CCCC1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C31H44P2.C5H10.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,15-18,25,28-31H,4-5,10-14,19-24H2,1H3;1-5H2;
InChIKeyRNQJWGDSGARFQR-UHFFFAOYSA-N
MW604.62 g/mol
LogP10.77
Rot. Bonds7

About cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron

cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron (PubChem CID 155887361) has the molecular formula C36H54FeP2 and a molecular weight of 604.62 g/mol. Its IUPAC name is cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron.

Molecular Properties

Compound Namecyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
PubChem CID155887361
Molecular FormulaC36H54FeP2
Molecular Weight604.62 g/mol
Exact Mass604.31
IUPAC Namecyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
SMILESC1CCCC1.CC(C1CCCC1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C31H44P2.C5H10.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,15-18,25,28-31H,4-5,10-14,19-24H2,1H3;1-5H2;
InChIKeyRNQJWGDSGARFQR-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.62
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
ditert-butyl-[1-[(1R)-2-dicyclohexylphosphanylcyclopentyl]ethyl]phosphane
CID 137018906
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916
[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
CID 11698892
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221

Frequently Asked Questions

What is the IUPAC name of cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron?
The IUPAC name of cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron (CID 155887361) is cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron.
What is the SMILES notation for cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron?
The canonical SMILES for cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron is C1CCCC1.CC(C1CCCC1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[Fe].
What is the InChIKey of cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron?
The InChIKey is RNQJWGDSGARFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44P2.C5H10.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,15-18,25,28-31H,4-5,10-14,19-24H2,1H3;1-5H2;.
What are the key properties of cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron?
cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron has a molecular weight of 604.62 g/mol, XLogP of 10.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron is sourced from PubChem (CID 155887361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).