2-carbazol-9-ylbenzene-1,3-diamine

C18H15N3 — CID 122584908

IUPAC2-carbazol-9-ylbenzene-1,3-diamine
SMILESNc1cccc(N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H15N3/c19-14-8-5-9-15(20)18(14)21-16-10-3-1-6-12(16)13-7-2-4-11-17(13)21/h1-11H,19-20H2
InChIKeyYQAYKGCYYWYZPY-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.95
Rot. Bonds1

About 2-carbazol-9-ylbenzene-1,3-diamine

2-carbazol-9-ylbenzene-1,3-diamine (PubChem CID 122584908) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-carbazol-9-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-carbazol-9-ylbenzene-1,3-diamine
PubChem CID122584908
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-carbazol-9-ylbenzene-1,3-diamine
SMILESNc1cccc(N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H15N3/c19-14-8-5-9-15(20)18(14)21-16-10-3-1-6-12(16)13-7-2-4-11-17(13)21/h1-11H,19-20H2
InChIKeyYQAYKGCYYWYZPY-UHFFFAOYSA-N
XLogP3.95
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-carbazol-9-ylbenzene-1,3-diamine?
The IUPAC name of 2-carbazol-9-ylbenzene-1,3-diamine (CID 122584908) is 2-carbazol-9-ylbenzene-1,3-diamine.
What is the SMILES notation for 2-carbazol-9-ylbenzene-1,3-diamine?
The canonical SMILES for 2-carbazol-9-ylbenzene-1,3-diamine is Nc1cccc(N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-ylbenzene-1,3-diamine?
The InChIKey is YQAYKGCYYWYZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-14-8-5-9-15(20)18(14)21-16-10-3-1-6-12(16)13-7-2-4-11-17(13)21/h1-11H,19-20H2.
What are the key properties of 2-carbazol-9-ylbenzene-1,3-diamine?
2-carbazol-9-ylbenzene-1,3-diamine has a molecular weight of 273.34 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylbenzene-1,3-diamine is sourced from PubChem (CID 122584908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).