4-carbazol-9-ylaniline

C18H14N2 — CID 621047

IUPAC4-carbazol-9-ylaniline
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H14N2/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H,19H2
InChIKeyDEVUXRBOPYDIDJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.37
Rot. Bonds1

About 4-carbazol-9-ylaniline

4-carbazol-9-ylaniline (PubChem CID 621047) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-carbazol-9-ylaniline.

Molecular Properties

Compound Name4-carbazol-9-ylaniline
PubChem CID621047
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name4-carbazol-9-ylaniline
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H14N2/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H,19H2
InChIKeyDEVUXRBOPYDIDJ-UHFFFAOYSA-N
XLogP4.37
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-ylaniline?
The IUPAC name of 4-carbazol-9-ylaniline (CID 621047) is 4-carbazol-9-ylaniline.
What is the SMILES notation for 4-carbazol-9-ylaniline?
The canonical SMILES for 4-carbazol-9-ylaniline is Nc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-carbazol-9-ylaniline?
The InChIKey is DEVUXRBOPYDIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H,19H2.
What are the key properties of 4-carbazol-9-ylaniline?
4-carbazol-9-ylaniline has a molecular weight of 258.32 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-ylaniline is sourced from PubChem (CID 621047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).