(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene

C23H18 — CID 11185504

IUPAC(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene
SMILESC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H18/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)23(17-21)20-14-8-3-9-15-20/h1-16H,17H2
InChIKeySCQHIRLGCKARRE-UHFFFAOYSA-N
MW294.40 g/mol
LogP6.08
Rot. Bonds3

About (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene

(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 11185504) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID11185504
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene
SMILESC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H18/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)23(17-21)20-14-8-3-9-15-20/h1-16H,17H2
InChIKeySCQHIRLGCKARRE-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene (CID 11185504) is (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene is C1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is SCQHIRLGCKARRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)23(17-21)20-14-8-3-9-15-20/h1-16H,17H2.
What are the key properties of (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene?
(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 294.40 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 11185504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).