2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C32H22F6N10S2 — CID 146801845

About 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 146801845) has the molecular formula C32H22F6N10S2 and a molecular weight of 724.72 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 146801845
• Molecular Formula: C32H22F6N10S2
• Molecular Weight: 724.72 g/mol
• Exact Mass: 724.14
• IUPAC Name: 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• SMILES: Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)nc(-c2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/C32H22F6N10S2/c33-31(34,35)19-13-9-17(10-14-19)25-43-27(39)47-29(45-25)41-21-5-1-3-7-23(21)49-50-24-8-4-2-6-22(24)42-30-46-26(44-28(40)48-30)18-11-15-20(16-12-18)32(36,37)38/h1-16H,(H3,39,41,43,45,47)(H3,40,42,44,46,48)
• InChIKey: RYBIPYQSLCGVCQ-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 153.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	724.72
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 146801845) is 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)nc(-c2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is RYBIPYQSLCGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F6N10S2/c33-31(34,35)19-13-9-17(10-14-19)25-43-27(39)47-29(45-25)41-21-5-1-3-7-23(21)49-50-24-8-4-2-6-22(24)42-30-46-26(44-28(40)48-30)18-11-15-20(16-12-18)32(36,37)38/h1-16H,(H3,39,41,43,45,47)(H3,40,42,44,46,48).

What are the key properties of 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 724.72 g/mol, XLogP of 8.88, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 146801845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).