1-methyl-4,8-diphenylazulene

C23H18 — CID 86056773

IUPAC1-methyl-4,8-diphenylazulene
SMILESCc1ccc2c(-c3ccccc3)cccc(-c3ccccc3)c1-2
InChIInChI=1S/C23H18/c1-17-15-16-22-20(18-9-4-2-5-10-18)13-8-14-21(23(17)22)19-11-6-3-7-12-19/h2-16H,1H3
InChIKeyXFWUQVPTGQLRSA-UHFFFAOYSA-N
MW294.40 g/mol
LogP6.43
Rot. Bonds2

About 1-methyl-4,8-diphenylazulene

1-methyl-4,8-diphenylazulene (PubChem CID 86056773) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-methyl-4,8-diphenylazulene.

Molecular Properties

Compound Name1-methyl-4,8-diphenylazulene
PubChem CID86056773
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name1-methyl-4,8-diphenylazulene
SMILESCc1ccc2c(-c3ccccc3)cccc(-c3ccccc3)c1-2
InChIInChI=1S/C23H18/c1-17-15-16-22-20(18-9-4-2-5-10-18)13-8-14-21(23(17)22)19-11-6-3-7-12-19/h2-16H,1H3
InChIKeyXFWUQVPTGQLRSA-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4,8-diphenylazulene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,8-diphenylazulene?
The IUPAC name of 1-methyl-4,8-diphenylazulene (CID 86056773) is 1-methyl-4,8-diphenylazulene.
What is the SMILES notation for 1-methyl-4,8-diphenylazulene?
The canonical SMILES for 1-methyl-4,8-diphenylazulene is Cc1ccc2c(-c3ccccc3)cccc(-c3ccccc3)c1-2.
What is the InChIKey of 1-methyl-4,8-diphenylazulene?
The InChIKey is XFWUQVPTGQLRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-17-15-16-22-20(18-9-4-2-5-10-18)13-8-14-21(23(17)22)19-11-6-3-7-12-19/h2-16H,1H3.
What are the key properties of 1-methyl-4,8-diphenylazulene?
1-methyl-4,8-diphenylazulene has a molecular weight of 294.40 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,8-diphenylazulene is sourced from PubChem (CID 86056773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).