5,11-dimethyl-6H-pyrido[4,3-b]carbazole

C34H28N4 — CID 118117401

IUPAC5,11-dimethyl-6H-pyrido[4,3-b]carbazole
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccccc12.Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/2C17H14N2/c2*1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h2*3-9,19H,1-2H3
InChIKeyVRIFGGMDCHBJBQ-UHFFFAOYSA-N
MW492.63 g/mol
LogP8.97
Rot. Bonds

About 5,11-dimethyl-6H-pyrido[4,3-b]carbazole

5,11-dimethyl-6H-pyrido[4,3-b]carbazole (PubChem CID 118117401) has the molecular formula C34H28N4 and a molecular weight of 492.63 g/mol. Its IUPAC name is 5,11-dimethyl-6H-pyrido[4,3-b]carbazole.

Molecular Properties

Compound Name5,11-dimethyl-6H-pyrido[4,3-b]carbazole
PubChem CID118117401
Molecular FormulaC34H28N4
Molecular Weight492.63 g/mol
Exact Mass492.23
IUPAC Name5,11-dimethyl-6H-pyrido[4,3-b]carbazole
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccccc12.Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/2C17H14N2/c2*1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h2*3-9,19H,1-2H3
InChIKeyVRIFGGMDCHBJBQ-UHFFFAOYSA-N
XLogP8.97
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,11-dimethyl-6H-pyrido[4,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
The IUPAC name of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole (CID 118117401) is 5,11-dimethyl-6H-pyrido[4,3-b]carbazole.
What is the SMILES notation for 5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
The canonical SMILES for 5,11-dimethyl-6H-pyrido[4,3-b]carbazole is Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12.Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12.
What is the InChIKey of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
The InChIKey is VRIFGGMDCHBJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N2/c2*1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h2*3-9,19H,1-2H3.
What are the key properties of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
5,11-dimethyl-6H-pyrido[4,3-b]carbazole has a molecular weight of 492.63 g/mol, XLogP of 8.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-6H-pyrido[4,3-b]carbazole is sourced from PubChem (CID 118117401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).