cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane

C32H34P2 — CID 166868132

IUPACcyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane
SMILESCCP(c1ccccc1)c1cccc(-c2cccc(P(c3ccccc3)C3CCCCC3)c2)c1
InChIInChI=1S/C32H34P2/c1-2-33(28-16-6-3-7-17-28)31-22-12-14-26(24-31)27-15-13-23-32(25-27)34(29-18-8-4-9-19-29)30-20-10-5-11-21-30/h3-4,6-9,12-19,22-25,30H,2,5,10-11,20-21H2,1H3
InChIKeyLNRNPKOUEAKKHG-UHFFFAOYSA-N
MW480.57 g/mol
LogP7.57
Rot. Bonds7

About cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane

cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane (PubChem CID 166868132) has the molecular formula C32H34P2 and a molecular weight of 480.57 g/mol. Its IUPAC name is cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane.

Molecular Properties

Compound Namecyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane
PubChem CID166868132
Molecular FormulaC32H34P2
Molecular Weight480.57 g/mol
Exact Mass480.21
IUPAC Namecyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane
SMILESCCP(c1ccccc1)c1cccc(-c2cccc(P(c3ccccc3)C3CCCCC3)c2)c1
InChIInChI=1S/C32H34P2/c1-2-33(28-16-6-3-7-17-28)31-22-12-14-26(24-31)27-15-13-23-32(25-27)34(29-18-8-4-9-19-29)30-20-10-5-11-21-30/h3-4,6-9,12-19,22-25,30H,2,5,10-11,20-21H2,1H3
InChIKeyLNRNPKOUEAKKHG-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclononyl(diphenyl)phosphane
CID 70908257
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
CID 167282833
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
ethyl-phenyl-(4-phenylphenyl)phosphane
CID 21301209
CID 11079317
CID 11079317
carbon monoxide;chromium;(R)-cyclohexyl-methyl-phenylphosphane
CID 134976520
CID 76954965
CID 76954965
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
ethyl(diphenyl)phosphane;trichlororuthenium
CID 159343437
ethyl(diphenyl)phosphane;methyl(diphenyl)phosphane
CID 158097838

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane?
The IUPAC name of cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane (CID 166868132) is cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane.
What is the SMILES notation for cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane?
The canonical SMILES for cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane is CCP(c1ccccc1)c1cccc(-c2cccc(P(c3ccccc3)C3CCCCC3)c2)c1.
What is the InChIKey of cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane?
The InChIKey is LNRNPKOUEAKKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34P2/c1-2-33(28-16-6-3-7-17-28)31-22-12-14-26(24-31)27-15-13-23-32(25-27)34(29-18-8-4-9-19-29)30-20-10-5-11-21-30/h3-4,6-9,12-19,22-25,30H,2,5,10-11,20-21H2,1H3.
What are the key properties of cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane?
cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane has a molecular weight of 480.57 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane is sourced from PubChem (CID 166868132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).