cyclopenta-1,4-dien-1-yl(diphenyl)phosphane

C17H15P — CID 3524393

IUPACcyclopenta-1,4-dien-1-yl(diphenyl)phosphane
SMILESC1=CC(P(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C17H15P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-7,9-14H,8H2
InChIKeyBDSPPPBLRLVJBZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.96
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl(diphenyl)phosphane

cyclopenta-1,4-dien-1-yl(diphenyl)phosphane (PubChem CID 3524393) has the molecular formula C17H15P and a molecular weight of 250.28 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(diphenyl)phosphane.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(diphenyl)phosphane
PubChem CID3524393
Molecular FormulaC17H15P
Molecular Weight250.28 g/mol
Exact Mass250.09
IUPAC Namecyclopenta-1,4-dien-1-yl(diphenyl)phosphane
SMILESC1=CC(P(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C17H15P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-7,9-14H,8H2
InChIKeyBDSPPPBLRLVJBZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane?
The IUPAC name of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane (CID 3524393) is cyclopenta-1,4-dien-1-yl(diphenyl)phosphane.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane is C1=CC(P(c2ccccc2)c2ccccc2)=CC1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane?
The InChIKey is BDSPPPBLRLVJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-7,9-14H,8H2.
What are the key properties of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane?
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane has a molecular weight of 250.28 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane is sourced from PubChem (CID 3524393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).