(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene

C25H22 — CID 139667466

IUPAC(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1
InChIInChI=1S/C25H22/c1-2-19-18-23(20-12-6-3-7-13-20)25(22-16-10-5-11-17-22)24(19)21-14-8-4-9-15-21/h3-17H,2,18H2,1H3
InChIKeyZPTSOKCDVSIEIP-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.86
Rot. Bonds4

About (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene

(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 139667466) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID139667466
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1
InChIInChI=1S/C25H22/c1-2-19-18-23(20-12-6-3-7-13-20)25(22-16-10-5-11-17-22)24(19)21-14-8-4-9-15-21/h3-17H,2,18H2,1H3
InChIKeyZPTSOKCDVSIEIP-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.86
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-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene (CID 139667466) is (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene is CCC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1.
What is the InChIKey of (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is ZPTSOKCDVSIEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-2-19-18-23(20-12-6-3-7-13-20)25(22-16-10-5-11-17-22)24(19)21-14-8-4-9-15-21/h3-17H,2,18H2,1H3.
What are the key properties of (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene?
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 322.45 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 139667466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).