3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine

C28H22N4S2 — CID 143364264

About 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine

3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine (PubChem CID 143364264) has the molecular formula C28H22N4S2 and a molecular weight of 478.65 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine.

Molecular Properties

• Compound Name: 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine
• PubChem CID: 143364264
• Molecular Formula: C28H22N4S2
• Molecular Weight: 478.65 g/mol
• Exact Mass: 478.13
• IUPAC Name: 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine
• SMILES: CN(Sc1cccs1)c1ccc2[nH]c3ncc(-c4ccc(N)cc4)c(-c4ccccc4)c3c2c1
• InChI: InChI=1S/C28H22N4S2/c1-32(34-25-8-5-15-33-25)21-13-14-24-22(16-21)27-26(19-6-3-2-4-7-19)23(17-30-28(27)31-24)18-9-11-20(29)12-10-18/h2-17H,29H2,1H3,(H,30,31)
• InChIKey: IOCZRBVZLRNCRC-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 57.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.65
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine?

The IUPAC name of 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine (CID 143364264) is 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine.

What is the SMILES notation for 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine?

The canonical SMILES for 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine is CN(Sc1cccs1)c1ccc2[nH]c3ncc(-c4ccc(N)cc4)c(-c4ccccc4)c3c2c1.

What is the InChIKey of 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine?

The InChIKey is IOCZRBVZLRNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4S2/c1-32(34-25-8-5-15-33-25)21-13-14-24-22(16-21)27-26(19-6-3-2-4-7-19)23(17-30-28(27)31-24)18-9-11-20(29)12-10-18/h2-17H,29H2,1H3,(H,30,31).

What are the key properties of 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine?

3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine has a molecular weight of 478.65 g/mol, XLogP of 7.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 143364264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).