6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one

C24H20O — CID 123306825

IUPAC6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one
SMILESCC1=CCCc2ccc(-c3cccc(-c4ccccc4)c3)cc2C1=O
InChIInChI=1S/C24H20O/c1-17-7-5-10-19-13-14-22(16-23(19)24(17)25)21-12-6-11-20(15-21)18-8-3-2-4-9-18/h2-4,6-9,11-16H,5,10H2,1H3
InChIKeyVIUJKKUZSIMZOL-UHFFFAOYSA-N
MW324.42 g/mol
LogP6.10
Rot. Bonds2

About 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one

6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one (PubChem CID 123306825) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one
PubChem CID123306825
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one
SMILESCC1=CCCc2ccc(-c3cccc(-c4ccccc4)c3)cc2C1=O
InChIInChI=1S/C24H20O/c1-17-7-5-10-19-13-14-22(16-23(19)24(17)25)21-12-6-11-20(15-21)18-8-3-2-4-9-18/h2-4,6-9,11-16H,5,10H2,1H3
InChIKeyVIUJKKUZSIMZOL-UHFFFAOYSA-N
XLogP6.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one?
The IUPAC name of 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one (CID 123306825) is 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one.
What is the SMILES notation for 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one?
The canonical SMILES for 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one is CC1=CCCc2ccc(-c3cccc(-c4ccccc4)c3)cc2C1=O.
What is the InChIKey of 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one?
The InChIKey is VIUJKKUZSIMZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c1-17-7-5-10-19-13-14-22(16-23(19)24(17)25)21-12-6-11-20(15-21)18-8-3-2-4-9-18/h2-4,6-9,11-16H,5,10H2,1H3.
What are the key properties of 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one?
6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one has a molecular weight of 324.42 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one is sourced from PubChem (CID 123306825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).