2-(2,2-diphenylethenyl)anthracene

C28H20 — CID 155667641

IUPAC2-(2,2-diphenylethenyl)anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C28H20/c1-3-9-22(10-4-1)28(23-11-5-2-6-12-23)18-21-15-16-26-19-24-13-7-8-14-25(24)20-27(26)17-21/h1-20H
InChIKeyHDVGRDPBJCLJHW-UHFFFAOYSA-N
MW356.47 g/mol
LogP7.58
Rot. Bonds3

About 2-(2,2-diphenylethenyl)anthracene

2-(2,2-diphenylethenyl)anthracene (PubChem CID 155667641) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)anthracene.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)anthracene
PubChem CID155667641
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Name2-(2,2-diphenylethenyl)anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C28H20/c1-3-9-22(10-4-1)28(23-11-5-2-6-12-23)18-21-15-16-26-19-24-13-7-8-14-25(24)20-27(26)17-21/h1-20H
InChIKeyHDVGRDPBJCLJHW-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)anthracene?
The IUPAC name of 2-(2,2-diphenylethenyl)anthracene (CID 155667641) is 2-(2,2-diphenylethenyl)anthracene.
What is the SMILES notation for 2-(2,2-diphenylethenyl)anthracene?
The canonical SMILES for 2-(2,2-diphenylethenyl)anthracene is C(=C(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-(2,2-diphenylethenyl)anthracene?
The InChIKey is HDVGRDPBJCLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20/c1-3-9-22(10-4-1)28(23-11-5-2-6-12-23)18-21-15-16-26-19-24-13-7-8-14-25(24)20-27(26)17-21/h1-20H.
What are the key properties of 2-(2,2-diphenylethenyl)anthracene?
2-(2,2-diphenylethenyl)anthracene has a molecular weight of 356.47 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)anthracene is sourced from PubChem (CID 155667641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).