2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol

C36H41N15O2 — CID 45486428

About 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol

2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol (PubChem CID 45486428) has the molecular formula C36H41N15O2 and a molecular weight of 715.83 g/mol. Its IUPAC name is 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol.

Molecular Properties

• Compound Name: 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol
• PubChem CID: 45486428
• Molecular Formula: C36H41N15O2
• Molecular Weight: 715.83 g/mol
• Exact Mass: 715.36
• IUPAC Name: 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol
• SMILES: Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCC(O)c5cccc(N)c5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1
• InChI: InChI=1S/C36H41N15O2/c37-24-5-1-4-23(18-24)30(53)21-42-33-49-34(51-36(50-33)45-29-9-3-7-26(39)20-29)43-27-12-10-22(11-13-27)14-15-40-31-46-32(41-16-17-52)48-35(47-31)44-28-8-2-6-25(38)19-28/h1-13,18-20,30,52-53H,14-17,21,37-39H2,(H3,40,41,44,46,47,48)(H3,42,43,45,49,50,51)
• InChIKey: QBFLGGAPPXHPSJ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 268.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	715.83
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol?

The IUPAC name of 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol (CID 45486428) is 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol.

What is the SMILES notation for 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol?

The canonical SMILES for 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol is Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCC(O)c5cccc(N)c5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1.

What is the InChIKey of 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol?

The InChIKey is QBFLGGAPPXHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N15O2/c37-24-5-1-4-23(18-24)30(53)21-42-33-49-34(51-36(50-33)45-29-9-3-7-26(39)20-29)43-27-12-10-22(11-13-27)14-15-40-31-46-32(41-16-17-52)48-35(47-31)44-28-8-2-6-25(38)19-28/h1-13,18-20,30,52-53H,14-17,21,37-39H2,(H3,40,41,44,46,47,48)(H3,42,43,45,49,50,51).

What are the key properties of 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol?

2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol has a molecular weight of 715.83 g/mol, XLogP of 4.24, 17 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol is sourced from PubChem (CID 45486428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).