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'}

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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).