2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine

C49H32Cl6F5N19O — CID 172948693

About 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine

2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine (PubChem CID 172948693) has the molecular formula C49H32Cl6F5N19O and a molecular weight of 1210.63 g/mol. Its IUPAC name is 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine
• PubChem CID: 172948693
• Molecular Formula: C49H32Cl6F5N19O
• Molecular Weight: 1210.63 g/mol
• Exact Mass: 1207.11
• IUPAC Name: 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine
• SMILES: Clc1nc(Cl)nc(Cl)n1.Fc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1.Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1.Oc1ccccc1/C=N/Nc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1
• InChI: InChI=1S/C22H17F2N7O.C15H10ClF2N5.C9H5Cl2FN4.C3Cl3N3/c23-15-5-9-17(10-6-15)26-20-28-21(27-18-11-7-16(24)8-12-18)30-22(29-20)31-25-13-14-3-1-2-4-19(14)32;16-13-21-14(19-11-5-1-9(17)2-6-11)23-15(22-13)20-12-7-3-10(18)4-8-12;10-7-14-8(11)16-9(15-7)13-6-3-1-5(12)2-4-6;4-1-7-2(5)9-3(6)8-1/h1-13,32H,(H3,26,27,28,29,30,31);1-8H,(H2,19,20,21,22,23);1-4H,(H,13,14,15,16);/b25-13+
• InChIKey: XFZYNFACTARYFV-STJNQAMVSA-N
• XLogP: 13.97
• TPSA: 259.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1210.63
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine?

The IUPAC name of 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine (CID 172948693) is 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine.

What is the SMILES notation for 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine?

The canonical SMILES for 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine is Clc1nc(Cl)nc(Cl)n1.Fc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1.Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1.Oc1ccccc1/C=N/Nc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1.

What is the InChIKey of 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine?

The InChIKey is XFZYNFACTARYFV-STJNQAMVSA-N. The full InChI is InChI=1S/C22H17F2N7O.C15H10ClF2N5.C9H5Cl2FN4.C3Cl3N3/c23-15-5-9-17(10-6-15)26-20-28-21(27-18-11-7-16(24)8-12-18)30-22(29-20)31-25-13-14-3-1-2-4-19(14)32;16-13-21-14(19-11-5-1-9(17)2-6-11)23-15(22-13)20-12-7-3-10(18)4-8-12;10-7-14-8(11)16-9(15-7)13-6-3-1-5(12)2-4-6;4-1-7-2(5)9-3(6)8-1/h1-13,32H,(H3,26,27,28,29,30,31);1-8H,(H2,19,20,21,22,23);1-4H,(H,13,14,15,16);/b25-13+;;;.

What are the key properties of 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine?

2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 1210.63 g/mol, XLogP of 13.97, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 172948693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).