2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine

C23H25N9 — CID 11683342

About 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 11683342) has the molecular formula C23H25N9 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 11683342
• Molecular Formula: C23H25N9
• Molecular Weight: 427.52 g/mol
• Exact Mass: 427.22
• IUPAC Name: 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: Nc1ccc(CCNc2nc(Nc3cccc(N)c3)nc(Nc3cccc(N)c3)n2)cc1
• InChI: InChI=1S/C23H25N9/c24-16-9-7-15(8-10-16)11-12-27-21-30-22(28-19-5-1-3-17(25)13-19)32-23(31-21)29-20-6-2-4-18(26)14-20/h1-10,13-14H,11-12,24-26H2,(H3,27,28,29,30,31,32)
• InChIKey: BCUZFCCGJIUPFU-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 152.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.52
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 11683342) is 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is Nc1ccc(CCNc2nc(Nc3cccc(N)c3)nc(Nc3cccc(N)c3)n2)cc1.

What is the InChIKey of 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is BCUZFCCGJIUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9/c24-16-9-7-15(8-10-16)11-12-27-21-30-22(28-19-5-1-3-17(25)13-19)32-23(31-21)29-20-6-2-4-18(26)14-20/h1-10,13-14H,11-12,24-26H2,(H3,27,28,29,30,31,32).

What are the key properties of 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?

2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 427.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11683342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).