1-(2,3-diphenylphenyl)anthracene

C32H22 — CID 151584978

IUPAC1-(2,3-diphenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3cccc4cc5ccccc5cc34)c2-c2ccccc2)cc1
InChIInChI=1S/C32H22/c1-3-11-23(12-4-1)28-18-10-20-30(32(28)24-13-5-2-6-14-24)29-19-9-17-27-21-25-15-7-8-16-26(25)22-31(27)29/h1-22H
InChIKeyQHHIYINYINFSHY-UHFFFAOYSA-N
MW406.53 g/mol
LogP8.99
Rot. Bonds3

About 1-(2,3-diphenylphenyl)anthracene

1-(2,3-diphenylphenyl)anthracene (PubChem CID 151584978) has the molecular formula C32H22 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(2,3-diphenylphenyl)anthracene.

Molecular Properties

Compound Name1-(2,3-diphenylphenyl)anthracene
PubChem CID151584978
Molecular FormulaC32H22
Molecular Weight406.53 g/mol
Exact Mass406.17
IUPAC Name1-(2,3-diphenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3cccc4cc5ccccc5cc34)c2-c2ccccc2)cc1
InChIInChI=1S/C32H22/c1-3-11-23(12-4-1)28-18-10-20-30(32(28)24-13-5-2-6-14-24)29-19-9-17-27-21-25-15-7-8-16-26(25)22-31(27)29/h1-22H
InChIKeyQHHIYINYINFSHY-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,3-diphenylphenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
1,2-diphenylpentacene
CID 22247158
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
9,10-di(anthracen-1-yl)anthracene
CID 58645093
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
2-deuterio-1-phenylanthracene
CID 162719950
6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine
CID 174888728
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylphenyl)anthracene?
The IUPAC name of 1-(2,3-diphenylphenyl)anthracene (CID 151584978) is 1-(2,3-diphenylphenyl)anthracene.
What is the SMILES notation for 1-(2,3-diphenylphenyl)anthracene?
The canonical SMILES for 1-(2,3-diphenylphenyl)anthracene is c1ccc(-c2cccc(-c3cccc4cc5ccccc5cc34)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(2,3-diphenylphenyl)anthracene?
The InChIKey is QHHIYINYINFSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22/c1-3-11-23(12-4-1)28-18-10-20-30(32(28)24-13-5-2-6-14-24)29-19-9-17-27-21-25-15-7-8-16-26(25)22-31(27)29/h1-22H.
What are the key properties of 1-(2,3-diphenylphenyl)anthracene?
1-(2,3-diphenylphenyl)anthracene has a molecular weight of 406.53 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylphenyl)anthracene is sourced from PubChem (CID 151584978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).