[2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane

C29H23P — CID 174681302

IUPAC[2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane
SMILESPC1C=CC(c2ccccc2-c2ccccc2)=C1c1ccccc1-c1ccccc1
InChIInChI=1S/C29H23P/c30-28-20-19-27(25-17-9-7-15-23(25)21-11-3-1-4-12-21)29(28)26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-20,28H,30H2
InChIKeyNPXKHJRNCGUPNI-UHFFFAOYSA-N
MW402.48 g/mol
LogP7.74
Rot. Bonds4

About [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane

[2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane (PubChem CID 174681302) has the molecular formula C29H23P and a molecular weight of 402.48 g/mol. Its IUPAC name is [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane.

Molecular Properties

Compound Name[2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane
PubChem CID174681302
Molecular FormulaC29H23P
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC Name[2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane
SMILESPC1C=CC(c2ccccc2-c2ccccc2)=C1c1ccccc1-c1ccccc1
InChIInChI=1S/C29H23P/c30-28-20-19-27(25-17-9-7-15-23(25)21-11-3-1-4-12-21)29(28)26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-20,28H,30H2
InChIKeyNPXKHJRNCGUPNI-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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5-phenyl-4-(2-phenylphenyl)cyclohexa-2,4-diene-1,1-diol
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1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one
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tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
CID 174248075
CID 174248075
(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
CID 11315014
1-phenyl-2-(2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 174368476
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
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(2-chloro-3-phenylphenyl)phosphane
CID 141494780

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane?
The IUPAC name of [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane (CID 174681302) is [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane.
What is the SMILES notation for [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane?
The canonical SMILES for [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane is PC1C=CC(c2ccccc2-c2ccccc2)=C1c1ccccc1-c1ccccc1.
What is the InChIKey of [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane?
The InChIKey is NPXKHJRNCGUPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23P/c30-28-20-19-27(25-17-9-7-15-23(25)21-11-3-1-4-12-21)29(28)26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-20,28H,30H2.
What are the key properties of [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane?
[2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane has a molecular weight of 402.48 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-phenylphenyl)cyclopenta-2,4-dien-1-yl]phosphane is sourced from PubChem (CID 174681302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).