dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

C31H51P2- — CID 134942525

IUPACdicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC([c-]1cccc1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H51P2/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/h14,23-29H,2-13,15-22H2,1H3/q-1
InChIKeyGRXZQYLURXGPNX-UHFFFAOYSA-N
MW485.70 g/mol
LogP10.39
Rot. Bonds7

About dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (PubChem CID 134942525) has the molecular formula C31H51P2- and a molecular weight of 485.70 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
PubChem CID134942525
Molecular FormulaC31H51P2-
Molecular Weight485.70 g/mol
Exact Mass485.35
IUPAC Namedicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC([c-]1cccc1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H51P2/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/h14,23-29H,2-13,15-22H2,1H3/q-1
InChIKeyGRXZQYLURXGPNX-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.70
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87088713
cyclopentane;dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87113937
cyclopentane;dicyclohexyl-[5-(1-phosphanylethyl)cyclopenta-1,3-dien-1-yl]phosphane;iron
CID 90214747
cyclopentane;dicyclohexyl-[5-(1-methoxyethyl)cyclopenta-1,3-dien-1-yl]phosphane;iron
CID 87987241
[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane
CID 135085441
1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl-dicyclohexylphosphane;cyclopenta-1,3-diene;iron(2+)
CID 158000939
(1S)-1-[2-[(2-dicyclohexylphosphanylphenyl)-methylphosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 134959452
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
CID 23179241
CID 10167731
CID 10167731
cyclopentane;dicyclohexyl-[5-(4,6-difluorohexan-3-ylphosphanyl)cyclopenta-1,3-dien-1-yl]phosphane;iron
CID 87785408
di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
CID 90110127
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The IUPAC name of dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (CID 134942525) is dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is CC([c-]1cccc1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The InChIKey is GRXZQYLURXGPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51P2/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/h14,23-29H,2-13,15-22H2,1H3/q-1.
What are the key properties of dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane has a molecular weight of 485.70 g/mol, XLogP of 10.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 134942525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).