(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene

C24H18 — CID 22327814

IUPAC(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
SMILESC1=CC(=C(c2ccccc2)c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(18-22)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeySMCUYNCHFYKVNO-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.14
Rot. Bonds3

About (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene

(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene (PubChem CID 22327814) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
PubChem CID22327814
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
SMILESC1=CC(=C(c2ccccc2)c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(18-22)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeySMCUYNCHFYKVNO-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene (CID 22327814) is (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene is C1=CC(=C(c2ccccc2)c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is SMCUYNCHFYKVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(18-22)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H.
What are the key properties of (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene?
(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 306.41 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 22327814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).