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

C31H40P2 — CID 15302428

IUPACdicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC(C1C=CC=C1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H40P2/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/h4-5,10-14,19-27,30H,2-3,6-9,15-18H2,1H3
InChIKeyYRILYNYWGGAAPV-UHFFFAOYSA-N
MW474.61 g/mol
LogP8.73
Rot. Bonds7

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

dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (PubChem CID 15302428) has the molecular formula C31H40P2 and a molecular weight of 474.61 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
PubChem CID15302428
Molecular FormulaC31H40P2
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Namedicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC(C1C=CC=C1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H40P2/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/h4-5,10-14,19-27,30H,2-3,6-9,15-18H2,1H3
InChIKeyYRILYNYWGGAAPV-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 58.73
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

dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 138962255
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
CID 87708719
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
CID 91844908
CID 91844908
[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
CID 138962112
(1R)-N-bis(3,4-difluorophenyl)phosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 87794428
(5-fluorocyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 176541891
cyclopentane;dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87113937

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The IUPAC name of dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (CID 15302428) is dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is CC(C1C=CC=C1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The InChIKey is YRILYNYWGGAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40P2/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/h4-5,10-14,19-27,30H,2-3,6-9,15-18H2,1H3.
What are the key properties of dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane has a molecular weight of 474.61 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 15302428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).