N-butyl-1-phenyl-9H-carbazol-3-amine

C22H22N2 — CID 168786121

IUPACN-butyl-1-phenyl-9H-carbazol-3-amine
SMILESCCCCNc1cc(-c2ccccc2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C22H22N2/c1-2-3-13-23-17-14-19(16-9-5-4-6-10-16)22-20(15-17)18-11-7-8-12-21(18)24-22/h4-12,14-15,23-24H,2-3,13H2,1H3
InChIKeyAKNSHZUAZWMHDR-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.20
Rot. Bonds5

About N-butyl-1-phenyl-9H-carbazol-3-amine

N-butyl-1-phenyl-9H-carbazol-3-amine (PubChem CID 168786121) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-butyl-1-phenyl-9H-carbazol-3-amine.

Molecular Properties

Compound NameN-butyl-1-phenyl-9H-carbazol-3-amine
PubChem CID168786121
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC NameN-butyl-1-phenyl-9H-carbazol-3-amine
SMILESCCCCNc1cc(-c2ccccc2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C22H22N2/c1-2-3-13-23-17-14-19(16-9-5-4-6-10-16)22-20(15-17)18-11-7-8-12-21(18)24-22/h4-12,14-15,23-24H,2-3,13H2,1H3
InChIKeyAKNSHZUAZWMHDR-UHFFFAOYSA-N
XLogP6.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-phenyl-9H-carbazol-3-amine?
The IUPAC name of N-butyl-1-phenyl-9H-carbazol-3-amine (CID 168786121) is N-butyl-1-phenyl-9H-carbazol-3-amine.
What is the SMILES notation for N-butyl-1-phenyl-9H-carbazol-3-amine?
The canonical SMILES for N-butyl-1-phenyl-9H-carbazol-3-amine is CCCCNc1cc(-c2ccccc2)c2[nH]c3ccccc3c2c1.
What is the InChIKey of N-butyl-1-phenyl-9H-carbazol-3-amine?
The InChIKey is AKNSHZUAZWMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-2-3-13-23-17-14-19(16-9-5-4-6-10-16)22-20(15-17)18-11-7-8-12-21(18)24-22/h4-12,14-15,23-24H,2-3,13H2,1H3.
What are the key properties of N-butyl-1-phenyl-9H-carbazol-3-amine?
N-butyl-1-phenyl-9H-carbazol-3-amine has a molecular weight of 314.43 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-phenyl-9H-carbazol-3-amine is sourced from PubChem (CID 168786121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).