dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane

C31H40P2 — CID 101248418

IUPACdicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane
SMILESC1=C(CCP(c2ccccc2)c2ccccc2)C(P(C2CCCCC2)C2CCCCC2)=CC1
InChIInChI=1S/C31H40P2/c1-5-15-27(16-6-1)32(28-17-7-2-8-18-28)25-24-26-14-13-23-31(26)33(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-2,5-8,14-18,23,29-30H,3-4,9-13,19-22,24-25H2
InChIKeyDFBZORWKVSCZRH-UHFFFAOYSA-N
MW474.61 g/mol
LogP8.87
Rot. Bonds8

About dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane

dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane (PubChem CID 101248418) has the molecular formula C31H40P2 and a molecular weight of 474.61 g/mol. Its IUPAC name is dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane
PubChem CID101248418
Molecular FormulaC31H40P2
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Namedicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane
SMILESC1=C(CCP(c2ccccc2)c2ccccc2)C(P(C2CCCCC2)C2CCCCC2)=CC1
InChIInChI=1S/C31H40P2/c1-5-15-27(16-6-1)32(28-17-7-2-8-18-28)25-24-26-14-13-23-31(26)33(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-2,5-8,14-18,23,29-30H,3-4,9-13,19-22,24-25H2
InChIKeyDFBZORWKVSCZRH-UHFFFAOYSA-N
XLogP8.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 58.87
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

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copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine
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CID 160785084

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane?
The IUPAC name of dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane (CID 101248418) is dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane?
The canonical SMILES for dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane is C1=C(CCP(c2ccccc2)c2ccccc2)C(P(C2CCCCC2)C2CCCCC2)=CC1.
What is the InChIKey of dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane?
The InChIKey is DFBZORWKVSCZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40P2/c1-5-15-27(16-6-1)32(28-17-7-2-8-18-28)25-24-26-14-13-23-31(26)33(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-2,5-8,14-18,23,29-30H,3-4,9-13,19-22,24-25H2.
What are the key properties of dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane?
dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane has a molecular weight of 474.61 g/mol, XLogP of 8.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane is sourced from PubChem (CID 101248418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).