9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid

C38H30N4O4 — CID 67610345

IUPAC9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid
SMILESCC1=C(C(=O)O)N=c2c1c(C)c1c(c2-c2cccc(N(C)C)c2)-c2ccccc2N=1.O=C(O)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H21N3O2.C13H9NO2/c1-13-19-14(2)23(25(29)30)27-24(19)20(15-8-7-9-16(12-15)28(3)4)21-17-10-5-6-11-18(17)26-22(13)21;15-13(16)8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h5-12H,1-4H3,(H,29,30);1-7,14H,(H,15,16)
InChIKeyIHTPOTIRKRDKJE-UHFFFAOYSA-N
MW606.68 g/mol
LogP7.13
Rot. Bonds4

About 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid

9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid (PubChem CID 67610345) has the molecular formula C38H30N4O4 and a molecular weight of 606.68 g/mol. Its IUPAC name is 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid.

Molecular Properties

Compound Name9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid
PubChem CID67610345
Molecular FormulaC38H30N4O4
Molecular Weight606.68 g/mol
Exact Mass606.23
IUPAC Name9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid
SMILESCC1=C(C(=O)O)N=c2c1c(C)c1c(c2-c2cccc(N(C)C)c2)-c2ccccc2N=1.O=C(O)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H21N3O2.C13H9NO2/c1-13-19-14(2)23(25(29)30)27-24(19)20(15-8-7-9-16(12-15)28(3)4)21-17-10-5-6-11-18(17)26-22(13)21;15-13(16)8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h5-12H,1-4H3,(H,29,30);1-7,14H,(H,15,16)
InChIKeyIHTPOTIRKRDKJE-UHFFFAOYSA-N
XLogP7.13
TPSA118.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid 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 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
The IUPAC name of 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid (CID 67610345) is 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid.
What is the SMILES notation for 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
The canonical SMILES for 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid is CC1=C(C(=O)O)N=c2c1c(C)c1c(c2-c2cccc(N(C)C)c2)-c2ccccc2N=1.O=C(O)c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
The InChIKey is IHTPOTIRKRDKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2.C13H9NO2/c1-13-19-14(2)23(25(29)30)27-24(19)20(15-8-7-9-16(12-15)28(3)4)21-17-10-5-6-11-18(17)26-22(13)21;15-13(16)8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h5-12H,1-4H3,(H,29,30);1-7,14H,(H,15,16).
What are the key properties of 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid has a molecular weight of 606.68 g/mol, XLogP of 7.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-2-carboxylic acid;4-[3-(dimethylamino)phenyl]-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid is sourced from PubChem (CID 67610345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).