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

C24H19N3 — CID 143364157

IUPAC3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
SMILESCc1ccc(-c2cnc3[nH]c4ccc(N)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C24H19N3/c1-15-7-9-16(10-8-15)20-14-26-24-23(22(20)17-5-3-2-4-6-17)19-13-18(25)11-12-21(19)27-24/h2-14H,25H2,1H3,(H,26,27)
InChIKeyKQEZHWHYFUHHKW-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.94
Rot. Bonds2

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

3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine (PubChem CID 143364157) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
PubChem CID143364157
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
SMILESCc1ccc(-c2cnc3[nH]c4ccc(N)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C24H19N3/c1-15-7-9-16(10-8-15)20-14-26-24-23(22(20)17-5-3-2-4-6-17)19-13-18(25)11-12-21(19)27-24/h2-14H,25H2,1H3,(H,26,27)
InChIKeyKQEZHWHYFUHHKW-UHFFFAOYSA-N
XLogP5.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.94
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-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
The IUPAC name of 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine (CID 143364157) is 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine.
What is the SMILES notation for 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
The canonical SMILES for 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine is Cc1ccc(-c2cnc3[nH]c4ccc(N)cc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
The InChIKey is KQEZHWHYFUHHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-15-7-9-16(10-8-15)20-14-26-24-23(22(20)17-5-3-2-4-6-17)19-13-18(25)11-12-21(19)27-24/h2-14H,25H2,1H3,(H,26,27).
What are the key properties of 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine?
3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine has a molecular weight of 349.44 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 143364157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).