1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene

C23H20 — CID 174868739

IUPAC1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C=C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20/c1-3-11-19-17-16-18(4-2)22(20-12-7-5-8-13-20)23(19)21-14-9-6-10-15-21/h3-10,12-17H,1-2,11H2
InChIKeyBZQDUMSSEHNQKQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP6.39
Rot. Bonds5

About 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene

1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene (PubChem CID 174868739) has the molecular formula C23H20 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene
PubChem CID174868739
Molecular FormulaC23H20
Molecular Weight296.41 g/mol
Exact Mass296.16
IUPAC Name1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C=C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20/c1-3-11-19-17-16-18(4-2)22(20-12-7-5-8-13-20)23(19)21-14-9-6-10-15-21/h3-10,12-17H,1-2,11H2
InChIKeyBZQDUMSSEHNQKQ-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene?
The IUPAC name of 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene (CID 174868739) is 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene.
What is the SMILES notation for 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene?
The canonical SMILES for 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene is C=CCc1ccc(C=C)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene?
The InChIKey is BZQDUMSSEHNQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20/c1-3-11-19-17-16-18(4-2)22(20-12-7-5-8-13-20)23(19)21-14-9-6-10-15-21/h3-10,12-17H,1-2,11H2.
What are the key properties of 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene?
1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene has a molecular weight of 296.41 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene is sourced from PubChem (CID 174868739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).