[2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane

C24H28P2 — CID 101070964

IUPAC[2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
SMILESC1=CC(P(c2ccccc2)c2ccccc2)=C(CPC2CCCCC2)C1
InChIInChI=1S/C24H28P2/c1-4-12-21(13-5-1)25-19-20-11-10-18-24(20)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-3,6-10,14-18,21,25H,1,4-5,11-13,19H2
InChIKeyXUQQTTLGGAFOFW-UHFFFAOYSA-N
MW378.44 g/mol
LogP6.34
Rot. Bonds6

About [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane

[2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane (PubChem CID 101070964) has the molecular formula C24H28P2 and a molecular weight of 378.44 g/mol. Its IUPAC name is [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
PubChem CID101070964
Molecular FormulaC24H28P2
Molecular Weight378.44 g/mol
Exact Mass378.17
IUPAC Name[2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
SMILESC1=CC(P(c2ccccc2)c2ccccc2)=C(CPC2CCCCC2)C1
InChIInChI=1S/C24H28P2/c1-4-12-21(13-5-1)25-19-20-11-10-18-24(20)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-3,6-10,14-18,21,25H,1,4-5,11-13,19H2
InChIKeyXUQQTTLGGAFOFW-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 56.34
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

1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine
CID 12658202
[2-(2-methylsulfanylbutyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
CID 102370895
chloromethylcyclohexane;triphenylphosphane
CID 87799022
(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
CID 101255313
dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
CID 70795771
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
cyclooctene;triphenylphosphane
CID 175429598
tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
CID 57357504
dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane
CID 102163658
silane;triphenylphosphane
CID 161037280
cyclononyl(diphenyl)phosphane
CID 70908257
[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane
CID 159402940

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
The IUPAC name of [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane (CID 101070964) is [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane is C1=CC(P(c2ccccc2)c2ccccc2)=C(CPC2CCCCC2)C1.
What is the InChIKey of [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
The InChIKey is XUQQTTLGGAFOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28P2/c1-4-12-21(13-5-1)25-19-20-11-10-18-24(20)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-3,6-10,14-18,21,25H,1,4-5,11-13,19H2.
What are the key properties of [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
[2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane has a molecular weight of 378.44 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 101070964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).