2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one

C50H35NO — CID 123334022

IUPAC2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one
SMILESCC1C(=O)C(c2ccccc2)=c2nc(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)cc3c2=C1c1ccccc1
InChIInChI=1S/C50H35NO/c1-33-42(35-22-10-3-11-23-35)46-41-32-40(34-20-8-2-9-21-34)43(36-24-12-4-13-25-36)44(37-26-14-5-15-27-37)47(41)48(39-30-18-7-19-31-39)51-49(46)45(50(33)52)38-28-16-6-17-29-38/h2-33H,1H3
InChIKeyQIYZQKQROLZMLS-UHFFFAOYSA-N
MW665.84 g/mol
LogP10.52
Rot. Bonds6

About 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one

2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one (PubChem CID 123334022) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one.

Molecular Properties

Compound Name2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one
PubChem CID123334022
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC Name2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one
SMILESCC1C(=O)C(c2ccccc2)=c2nc(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)cc3c2=C1c1ccccc1
InChIInChI=1S/C50H35NO/c1-33-42(35-22-10-3-11-23-35)46-41-32-40(34-20-8-2-9-21-34)43(36-24-12-4-13-25-36)44(37-26-14-5-15-27-37)47(41)48(39-30-18-7-19-31-39)51-49(46)45(50(33)52)38-28-16-6-17-29-38/h2-33H,1H3
InChIKeyQIYZQKQROLZMLS-UHFFFAOYSA-N
XLogP10.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-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

3-(4-Methylphenyl)-1,1-diphenylisoquinolin-4(1H)-one
CID 13525903
1-phenylethylbenzene;prop-1-ene;2-propyl-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
CID 145502964
6-benzhydrylidene-2,3,5,5-tetraphenyl-3H-pyridin-4-one
CID 15684853
(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one
CID 102291260
(2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one
CID 135055054
(5Z)-5-[(2E,4E)-5-(4-fluorophenyl)-2-methyl-1-[4-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-3,4-diphenylhexa-2,4-dienylidene]-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
CID 145366058
1-Phenyl-1-(3,3,6,7-tetramethyl-3,4-dihydro-1-isoquinolinyl)acetone
CID 4073597
bis[2-[1-(3,3-dimethyl-4H-isoquinolin-1-yl)cyclohexyl]phenyl]methanone
CID 69213474
bis[4-[1-(3,3-dimethyl-4H-isoquinolin-1-yl)cyclohexyl]phenyl]methanone
CID 69213481
6-butyl-5-[[4-(2-ethylphenyl)phenyl]methyl]-2-propan-2-yl-3H-pyridin-4-one
CID 70820004
[5-[4-[4-[3-Benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone
CID 90742351
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-naphthalen-2-ylethanone
CID 90881328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one?
The IUPAC name of 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one (CID 123334022) is 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one.
What is the SMILES notation for 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one?
The canonical SMILES for 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one is CC1C(=O)C(c2ccccc2)=c2nc(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)cc3c2=C1c1ccccc1.
What is the InChIKey of 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one?
The InChIKey is QIYZQKQROLZMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-33-42(35-22-10-3-11-23-35)46-41-32-40(34-20-8-2-9-21-34)43(36-24-12-4-13-25-36)44(37-26-14-5-15-27-37)47(41)48(39-30-18-7-19-31-39)51-49(46)45(50(33)52)38-28-16-6-17-29-38/h2-33H,1H3.
What are the key properties of 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one?
2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one has a molecular weight of 665.84 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one is sourced from PubChem (CID 123334022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).