bis(cyclopentyl(diphenyl)phosphane);dichloromethane

C35H40Cl2P2 — CID 160785084

IUPACbis(cyclopentyl(diphenyl)phosphane);dichloromethane
SMILESClCCl.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.CH2Cl2/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2-1-3/h2*1-6,9-12,17H,7-8,13-14H2;1H2
InChIKeySBCFGWMKYXVKLF-UHFFFAOYSA-N
MW593.56 g/mol
LogP9.55
Rot. Bonds6

About bis(cyclopentyl(diphenyl)phosphane);dichloromethane

bis(cyclopentyl(diphenyl)phosphane);dichloromethane (PubChem CID 160785084) has the molecular formula C35H40Cl2P2 and a molecular weight of 593.56 g/mol. Its IUPAC name is bis(cyclopentyl(diphenyl)phosphane);dichloromethane.

Molecular Properties

Compound Namebis(cyclopentyl(diphenyl)phosphane);dichloromethane
PubChem CID160785084
Molecular FormulaC35H40Cl2P2
Molecular Weight593.56 g/mol
Exact Mass592.20
IUPAC Namebis(cyclopentyl(diphenyl)phosphane);dichloromethane
SMILESClCCl.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.CH2Cl2/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2-1-3/h2*1-6,9-12,17H,7-8,13-14H2;1H2
InChIKeySBCFGWMKYXVKLF-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.56
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclononyl(diphenyl)phosphane
CID 70908257
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine
CID 155885060
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
CID 167282833
CID 11079317
CID 11079317
cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane
CID 166868132
CID 76954965
CID 76954965
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
CID 89375830
CID 89375830
chloromethylcyclohexane;triphenylphosphane
CID 87799022

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentyl(diphenyl)phosphane);dichloromethane?
The IUPAC name of bis(cyclopentyl(diphenyl)phosphane);dichloromethane (CID 160785084) is bis(cyclopentyl(diphenyl)phosphane);dichloromethane.
What is the SMILES notation for bis(cyclopentyl(diphenyl)phosphane);dichloromethane?
The canonical SMILES for bis(cyclopentyl(diphenyl)phosphane);dichloromethane is ClCCl.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of bis(cyclopentyl(diphenyl)phosphane);dichloromethane?
The InChIKey is SBCFGWMKYXVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19P.CH2Cl2/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2-1-3/h2*1-6,9-12,17H,7-8,13-14H2;1H2.
What are the key properties of bis(cyclopentyl(diphenyl)phosphane);dichloromethane?
bis(cyclopentyl(diphenyl)phosphane);dichloromethane has a molecular weight of 593.56 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentyl(diphenyl)phosphane);dichloromethane is sourced from PubChem (CID 160785084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).