2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine

C46H22F14N6 — CID 126608678

IUPAC2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3c(F)c(F)c(-c4c(F)c(F)c(-c5nc(-c6ccc(C(F)(F)F)cc6)nc(-c6ccc(C(F)(F)F)cc6)n5)c(F)c4F)c(F)c3F)n2)cc1
InChIInChI=1S/C46H22F14N6/c1-19-3-7-21(8-4-19)39-61-40(22-9-5-20(2)6-10-22)64-43(63-39)29-35(51)31(47)27(32(48)36(29)52)28-33(49)37(53)30(38(54)34(28)50)44-65-41(23-11-15-25(16-12-23)45(55,56)57)62-42(66-44)24-13-17-26(18-14-24)46(58,59)60/h3-18H,1-2H3
InChIKeyZVWDZXSHYLWNBZ-UHFFFAOYSA-N
MW924.70 g/mol
LogP13.49
Rot. Bonds7

About 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine

2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine (PubChem CID 126608678) has the molecular formula C46H22F14N6 and a molecular weight of 924.70 g/mol. Its IUPAC name is 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine
PubChem CID126608678
Molecular FormulaC46H22F14N6
Molecular Weight924.70 g/mol
Exact Mass924.17
IUPAC Name2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3c(F)c(F)c(-c4c(F)c(F)c(-c5nc(-c6ccc(C(F)(F)F)cc6)nc(-c6ccc(C(F)(F)F)cc6)n5)c(F)c4F)c(F)c3F)n2)cc1
InChIInChI=1S/C46H22F14N6/c1-19-3-7-21(8-4-19)39-61-40(22-9-5-20(2)6-10-22)64-43(63-39)29-35(51)31(47)27(32(48)36(29)52)28-33(49)37(53)30(38(54)34(28)50)44-65-41(23-11-15-25(16-12-23)45(55,56)57)62-42(66-44)24-13-17-26(18-14-24)46(58,59)60/h3-18H,1-2H3
InChIKeyZVWDZXSHYLWNBZ-UHFFFAOYSA-N
XLogP13.49
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.70
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine (CID 126608678) is 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3c(F)c(F)c(-c4c(F)c(F)c(-c5nc(-c6ccc(C(F)(F)F)cc6)nc(-c6ccc(C(F)(F)F)cc6)n5)c(F)c4F)c(F)c3F)n2)cc1.
What is the InChIKey of 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The InChIKey is ZVWDZXSHYLWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22F14N6/c1-19-3-7-21(8-4-19)39-61-40(22-9-5-20(2)6-10-22)64-43(63-39)29-35(51)31(47)27(32(48)36(29)52)28-33(49)37(53)30(38(54)34(28)50)44-65-41(23-11-15-25(16-12-23)45(55,56)57)62-42(66-44)24-13-17-26(18-14-24)46(58,59)60/h3-18H,1-2H3.
What are the key properties of 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine has a molecular weight of 924.70 g/mol, XLogP of 13.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 126608678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).