dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

C31H52P2 — CID 70820745

IUPACdicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESCC(C1=CC=CC1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H52P2/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/h14,23-29,31H,2-13,15-22H2,1H3
InChIKeyISZJJZVBFAUSBQ-UHFFFAOYSA-N
MW486.71 g/mol
LogP10.53
Rot. Bonds7

About dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (PubChem CID 70820745) has the molecular formula C31H52P2 and a molecular weight of 486.71 g/mol. Its IUPAC name is dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
PubChem CID70820745
Molecular FormulaC31H52P2
Molecular Weight486.71 g/mol
Exact Mass486.35
IUPAC Namedicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESCC(C1=CC=CC1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H52P2/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/h14,23-29,31H,2-13,15-22H2,1H3
InChIKeyISZJJZVBFAUSBQ-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.71
LogP ≤ 510.53
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

di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane
CID 90109862
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
tri(cyclooctyl)phosphane
CID 12970661
tri(cyclododecyl)phosphane
CID 19065577
dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane
CID 176536164
CID 10167731
CID 10167731
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
CID 11297590
CID 11297590
gold(1+);tricyclohexylphosphane
CID 161082953
phosphane;tricyclohexylphosphane
CID 87084185
silane;tricyclohexylphosphane
CID 158384701
bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The IUPAC name of dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (CID 70820745) is dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is CC(C1=CC=CC1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The InChIKey is ISZJJZVBFAUSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52P2/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/h14,23-29,31H,2-13,15-22H2,1H3.
What are the key properties of dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane has a molecular weight of 486.71 g/mol, XLogP of 10.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 70820745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).