3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine

C23H16BrN3 — CID 58790896

IUPAC3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
SMILESNc1ccc2[nH]c3ncc(-c4cccc(Br)c4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C23H16BrN3/c24-16-8-4-7-15(11-16)19-13-26-23-22(21(19)14-5-2-1-3-6-14)18-12-17(25)9-10-20(18)27-23/h1-13H,25H2,(H,26,27)
InChIKeyAUZWLAGTOOFRDA-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.39
Rot. Bonds2

About 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine

3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine (PubChem CID 58790896) has the molecular formula C23H16BrN3 and a molecular weight of 414.31 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
PubChem CID58790896
Molecular FormulaC23H16BrN3
Molecular Weight414.31 g/mol
Exact Mass413.05
IUPAC Name3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
SMILESNc1ccc2[nH]c3ncc(-c4cccc(Br)c4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C23H16BrN3/c24-16-8-4-7-15(11-16)19-13-26-23-22(21(19)14-5-2-1-3-6-14)18-12-17(25)9-10-20(18)27-23/h1-13H,25H2,(H,26,27)
InChIKeyAUZWLAGTOOFRDA-UHFFFAOYSA-N
XLogP6.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 56.39
H-Bond Donors ≤ 52
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 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
The IUPAC name of 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine (CID 58790896) is 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine.
What is the SMILES notation for 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
The canonical SMILES for 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine is Nc1ccc2[nH]c3ncc(-c4cccc(Br)c4)c(-c4ccccc4)c3c2c1.
What is the InChIKey of 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
The InChIKey is AUZWLAGTOOFRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3/c24-16-8-4-7-15(11-16)19-13-26-23-22(21(19)14-5-2-1-3-6-14)18-12-17(25)9-10-20(18)27-23/h1-13H,25H2,(H,26,27).
What are the key properties of 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine has a molecular weight of 414.31 g/mol, XLogP of 6.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 58790896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).