cyclononyl(diphenyl)phosphane

C21H27P — CID 70908257

IUPACcyclononyl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2CCCCCCCC2)cc1
InChIInChI=1S/C21H27P/c1-2-4-8-14-19(13-7-3-1)22(20-15-9-5-10-16-20)21-17-11-6-12-18-21/h5-6,9-12,15-19H,1-4,7-8,13-14H2
InChIKeyFMCMUXYBIJILGD-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.62
Rot. Bonds3

About cyclononyl(diphenyl)phosphane

cyclononyl(diphenyl)phosphane (PubChem CID 70908257) has the molecular formula C21H27P and a molecular weight of 310.42 g/mol. Its IUPAC name is cyclononyl(diphenyl)phosphane.

Molecular Properties

Compound Namecyclononyl(diphenyl)phosphane
PubChem CID70908257
Molecular FormulaC21H27P
Molecular Weight310.42 g/mol
Exact Mass310.19
IUPAC Namecyclononyl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2CCCCCCCC2)cc1
InChIInChI=1S/C21H27P/c1-2-4-8-14-19(13-7-3-1)22(20-15-9-5-10-16-20)21-17-11-6-12-18-21/h5-6,9-12,15-19H,1-4,7-8,13-14H2
InChIKeyFMCMUXYBIJILGD-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.62
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

bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
CID 11079317
CID 11079317
CID 76954965
CID 76954965
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
CID 167282833
CID 89375830
CID 89375830
cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane
CID 166868132
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
CID 57357504
acetic acid;dicyclohexyl(phenyl)phosphane
CID 172794555

Frequently Asked Questions

What is the IUPAC name of cyclononyl(diphenyl)phosphane?
The IUPAC name of cyclononyl(diphenyl)phosphane (CID 70908257) is cyclononyl(diphenyl)phosphane.
What is the SMILES notation for cyclononyl(diphenyl)phosphane?
The canonical SMILES for cyclononyl(diphenyl)phosphane is c1ccc(P(c2ccccc2)C2CCCCCCCC2)cc1.
What is the InChIKey of cyclononyl(diphenyl)phosphane?
The InChIKey is FMCMUXYBIJILGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27P/c1-2-4-8-14-19(13-7-3-1)22(20-15-9-5-10-16-20)21-17-11-6-12-18-21/h5-6,9-12,15-19H,1-4,7-8,13-14H2.
What are the key properties of cyclononyl(diphenyl)phosphane?
cyclononyl(diphenyl)phosphane has a molecular weight of 310.42 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononyl(diphenyl)phosphane is sourced from PubChem (CID 70908257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).