1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene

C24H20 — CID 174354698

IUPAC1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
SMILESC1=CCC(c2ccccc2C(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C24H20/c1-3-13-20(14-4-1)24(21-15-5-2-6-16-21)23-18-10-9-17-22(23)19-11-7-8-12-19/h1-11,13-18,24H,12H2
InChIKeyLZKZNHLZEUXAMR-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.21
Rot. Bonds4

About 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene

1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene (PubChem CID 174354698) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene.

Molecular Properties

Compound Name1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
PubChem CID174354698
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
SMILESC1=CCC(c2ccccc2C(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C24H20/c1-3-13-20(14-4-1)24(21-15-5-2-6-16-21)23-18-10-9-17-22(23)19-11-7-8-12-19/h1-11,13-18,24H,12H2
InChIKeyLZKZNHLZEUXAMR-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene?
The IUPAC name of 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene (CID 174354698) is 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene.
What is the SMILES notation for 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene?
The canonical SMILES for 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene is C1=CCC(c2ccccc2C(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene?
The InChIKey is LZKZNHLZEUXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-3-13-20(14-4-1)24(21-15-5-2-6-16-21)23-18-10-9-17-22(23)19-11-7-8-12-19/h1-11,13-18,24H,12H2.
What are the key properties of 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene?
1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene has a molecular weight of 308.42 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene is sourced from PubChem (CID 174354698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).