1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane

C21H21P — CID 87306429

IUPAC1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane
SMILESC1=CC(P2C(c3ccccc3)CCC2c2ccccc2)C=C1
InChIInChI=1S/C21H21P/c1-3-9-17(10-4-1)20-15-16-21(18-11-5-2-6-12-18)22(20)19-13-7-8-14-19/h1-14,19-21H,15-16H2
InChIKeyVEUWNOZGKMKURG-UHFFFAOYSA-N
MW304.37 g/mol
LogP6.24
Rot. Bonds3

About 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane

1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane (PubChem CID 87306429) has the molecular formula C21H21P and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane
PubChem CID87306429
Molecular FormulaC21H21P
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane
SMILESC1=CC(P2C(c3ccccc3)CCC2c2ccccc2)C=C1
InChIInChI=1S/C21H21P/c1-3-9-17(10-4-1)20-15-16-21(18-11-5-2-6-12-18)22(20)19-13-7-8-14-19/h1-14,19-21H,15-16H2
InChIKeyVEUWNOZGKMKURG-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 56.24
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

2,5-diphenylphospholan-1-amine
CID 175816319
(2R,5R)-1-methyl-2,5-diphenylphospholane
CID 87307913
CID 11716921
CID 11716921
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane
CID 122364984
N-ethyl-2,5-diphenylphospholan-1-amine
CID 140850108
(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene
CID 98158916
benzene;cyclopropylbenzene
CID 144638417
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344024
(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine
CID 134343988

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane (CID 87306429) is 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane is C1=CC(P2C(c3ccccc3)CCC2c2ccccc2)C=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane?
The InChIKey is VEUWNOZGKMKURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P/c1-3-9-17(10-4-1)20-15-16-21(18-11-5-2-6-12-18)22(20)19-13-7-8-14-19/h1-14,19-21H,15-16H2.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane?
1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane has a molecular weight of 304.37 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane is sourced from PubChem (CID 87306429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).