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'}

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Related Compounds

[cyclopenta-1,3-dien-1-yl-(2-cyclopenta-1,3-dien-1-ylphenyl)methyl]-trimethylsilane
CID 18996423
tert-butyl-[1-(2-cyclopenta-1,3-dien-1-ylphenyl)ethyl]azanide;titanium(3+);dichloride
CID 87500350
1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene
CID 158208746
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
2-cyclopenta-1,3-dien-1-ylbenzamide
CID 22676479
CID 21072158
CID 21072158
1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
CID 18328507
methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 145003907
N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline
CID 68546854
1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 139725078
2-(2-benzhydrylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175096751
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126

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).