1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone

C41H35NO4S — CID 132607869

IUPAC1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone
SMILESCCOc1ccc(-c2c3c(c(-c4ccc(C)cc4)c4ccc(C(C)=O)cc24)CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C41H35NO4S/c1-5-46-32-19-16-30(17-20-32)40-36-24-31(28(4)43)18-23-34(36)39(29-14-10-26(2)11-15-29)37-25-42(38-9-7-6-8-35(38)41(37)40)47(44,45)33-21-12-27(3)13-22-33/h6-24H,5,25H2,1-4H3
InChIKeyUOFJYWFSVQGODJ-UHFFFAOYSA-N
MW637.80 g/mol
LogP9.77
Rot. Bonds7

About 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone

1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone (PubChem CID 132607869) has the molecular formula C41H35NO4S and a molecular weight of 637.80 g/mol. Its IUPAC name is 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone.

Molecular Properties

Compound Name1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone
PubChem CID132607869
Molecular FormulaC41H35NO4S
Molecular Weight637.80 g/mol
Exact Mass637.23
IUPAC Name1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone
SMILESCCOc1ccc(-c2c3c(c(-c4ccc(C)cc4)c4ccc(C(C)=O)cc24)CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C41H35NO4S/c1-5-46-32-19-16-30(17-20-32)40-36-24-31(28(4)43)18-23-34(36)39(29-14-10-26(2)11-15-29)37-25-42(38-9-7-6-8-35(38)41(37)40)47(44,45)33-21-12-27(3)13-22-33/h6-24H,5,25H2,1-4H3
InChIKeyUOFJYWFSVQGODJ-UHFFFAOYSA-N
XLogP9.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.80
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone 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

ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
CID 67505477
methyl 4-[5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-3-yl]benzoate
CID 134852454
(3S)-1-(4-ethoxyphenyl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632088
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ylidene]acetate
CID 102098728
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetate
CID 11079549
5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
CID 68974373
(3Z)-3-[(4-ethoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole
CID 5294067
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110395047
5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline
CID 134852166
5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 12597587

Frequently Asked Questions

What is the IUPAC name of 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone?
The IUPAC name of 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone (CID 132607869) is 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone.
What is the SMILES notation for 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone?
The canonical SMILES for 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone is CCOc1ccc(-c2c3c(c(-c4ccc(C)cc4)c4ccc(C(C)=O)cc24)CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2-3)cc1.
What is the InChIKey of 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone?
The InChIKey is UOFJYWFSVQGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35NO4S/c1-5-46-32-19-16-30(17-20-32)40-36-24-31(28(4)43)18-23-34(36)39(29-14-10-26(2)11-15-29)37-25-42(38-9-7-6-8-35(38)41(37)40)47(44,45)33-21-12-27(3)13-22-33/h6-24H,5,25H2,1-4H3.
What are the key properties of 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone?
1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone has a molecular weight of 637.80 g/mol, XLogP of 9.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone is sourced from PubChem (CID 132607869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).