3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione

C25H21NO3 — CID 72702672

IUPAC3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione
SMILESCc1ccc(-n2c3c(c4c2C(=O)c2ccccc2C4=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H21NO3/c1-14-8-10-15(11-9-14)26-18-12-25(2,3)13-19(27)20(18)21-22(26)24(29)17-7-5-4-6-16(17)23(21)28/h4-11H,12-13H2,1-3H3
InChIKeyQRQQJTMEZKDWTA-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.72
Rot. Bonds1

About 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione

3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione (PubChem CID 72702672) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione.

Molecular Properties

Compound Name3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione
PubChem CID72702672
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione
SMILESCc1ccc(-n2c3c(c4c2C(=O)c2ccccc2C4=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H21NO3/c1-14-8-10-15(11-9-14)26-18-12-25(2,3)13-19(27)20(18)21-22(26)24(29)17-7-5-4-6-16(17)23(21)28/h4-11H,12-13H2,1-3H3
InChIKeyQRQQJTMEZKDWTA-UHFFFAOYSA-N
XLogP4.72
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione 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

1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one
CID 139146413
3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one
CID 3088568
1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
CID 102493879
2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid
CID 5298292
3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione
CID 13130307
7,7-dimethyl-1-(4-methylphenyl)-2-phenyl-6,8-dihydro-5H-pyrrolo[3,2-c]azepin-4-one
CID 13140971
7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide
CID 23884754
3-acetyl-1-(4-bromophenyl)-2-methylbenzo[f]indole-4,9-dione
CID 72702296
2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
CID 141472530
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
3-(2-fluorophenyl)-6,6-dimethyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 70106002
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
CID 2945255

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione?
The IUPAC name of 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione (CID 72702672) is 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione.
What is the SMILES notation for 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione?
The canonical SMILES for 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione is Cc1ccc(-n2c3c(c4c2C(=O)c2ccccc2C4=O)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione?
The InChIKey is QRQQJTMEZKDWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-14-8-10-15(11-9-14)26-18-12-25(2,3)13-19(27)20(18)21-22(26)24(29)17-7-5-4-6-16(17)23(21)28/h4-11H,12-13H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione?
3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione has a molecular weight of 383.45 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione is sourced from PubChem (CID 72702672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).