2-(9H-carbazol-2-yl)benzene-1,4-diamine

C18H15N3 — CID 175102492

IUPAC2-(9H-carbazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccc3c(c2)[nH]c2ccccc23)c1
InChIInChI=1S/C18H15N3/c19-12-6-8-16(20)15(10-12)11-5-7-14-13-3-1-2-4-17(13)21-18(14)9-11/h1-10,21H,19-20H2
InChIKeyLGFXZRYWTBZRGY-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.15
Rot. Bonds1

About 2-(9H-carbazol-2-yl)benzene-1,4-diamine

2-(9H-carbazol-2-yl)benzene-1,4-diamine (PubChem CID 175102492) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(9H-carbazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(9H-carbazol-2-yl)benzene-1,4-diamine
PubChem CID175102492
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(9H-carbazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccc3c(c2)[nH]c2ccccc23)c1
InChIInChI=1S/C18H15N3/c19-12-6-8-16(20)15(10-12)11-5-7-14-13-3-1-2-4-17(13)21-18(14)9-11/h1-10,21H,19-20H2
InChIKeyLGFXZRYWTBZRGY-UHFFFAOYSA-N
XLogP4.15
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(9H-carbazol-2-yl)benzene-1,4-diamine 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

9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
2-triphenylen-2-yl-9H-carbazole
CID 118922949
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
2-(3-phenyl-9H-carbazol-2-yl)aniline
CID 175440739
4-(4-amino-2-triphenylen-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 87258895
2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline
CID 175907583
2-(5H-benzo[b]phosphindol-4-yl)-9H-carbazole
CID 137483225
3-(9H-carbazol-1-yl)aniline
CID 67501137
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole
CID 66668984

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-(9H-carbazol-2-yl)benzene-1,4-diamine (CID 175102492) is 2-(9H-carbazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-(9H-carbazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-(9H-carbazol-2-yl)benzene-1,4-diamine is Nc1ccc(N)c(-c2ccc3c(c2)[nH]c2ccccc23)c1.
What is the InChIKey of 2-(9H-carbazol-2-yl)benzene-1,4-diamine?
The InChIKey is LGFXZRYWTBZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-12-6-8-16(20)15(10-12)11-5-7-14-13-3-1-2-4-17(13)21-18(14)9-11/h1-10,21H,19-20H2.
What are the key properties of 2-(9H-carbazol-2-yl)benzene-1,4-diamine?
2-(9H-carbazol-2-yl)benzene-1,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 175102492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).