dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane

C30H38P2 — CID 102163658

IUPACdicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane
SMILESC1=CC(CP(c2ccccc2)c2ccccc2)=C(P(C2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C30H38P2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-2,5-8,13-18,28-29H,3-4,9-12,19-24H2
InChIKeyPSKVXENPSQYBIY-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.48
Rot. Bonds7

About dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane

dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane (PubChem CID 102163658) has the molecular formula C30H38P2 and a molecular weight of 460.58 g/mol. Its IUPAC name is dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane
PubChem CID102163658
Molecular FormulaC30H38P2
Molecular Weight460.58 g/mol
Exact Mass460.24
IUPAC Namedicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane
SMILESC1=CC(CP(c2ccccc2)c2ccccc2)=C(P(C2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C30H38P2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-2,5-8,13-18,28-29H,3-4,9-12,19-24H2
InChIKeyPSKVXENPSQYBIY-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.48
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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dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane
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CID 89375830
CID 89375830
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
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2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine
CID 122386943
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane?
The IUPAC name of dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane (CID 102163658) is dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane is C1=CC(CP(c2ccccc2)c2ccccc2)=C(P(C2CCCCC2)C2CCCCC2)C1.
What is the InChIKey of dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane?
The InChIKey is PSKVXENPSQYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38P2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-2,5-8,13-18,28-29H,3-4,9-12,19-24H2.
What are the key properties of dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane?
dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane has a molecular weight of 460.58 g/mol, XLogP of 8.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 102163658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).