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

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

5-(3,5-diphenylphenyl)-14-phenanthren-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 88556830
(3E)-5-phenyl-3-(6-phenyl-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 101427636
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate
CID 82543772
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
CID 91601711
3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene
CID 144639990
9-[4-methyl-3-(3-methyl-5,6-dihydronaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)anthracene
CID 144703495
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478

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).