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-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine

C88H42F22N12 — CID 158488557

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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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.Fc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H22F14N6.C42H20F8N6/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;43-29-25(30(44)34(48)27(33(29)47)41-53-37(21-13-5-1-6-14-21)51-38(54-41)22-15-7-2-8-16-22)26-31(45)35(49)28(36(50)32(26)46)42-55-39(23-17-9-3-10-18-23)52-40(56-42)24-19-11-4-12-20-24/h3-18H,1-2H3;1-20H
InChIKeyHIKHVNOVNHBKOF-UHFFFAOYSA-N
MW1685.34 g/mol
LogP24.33
Rot. Bonds14

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-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158488557) has the molecular formula C88H42F22N12 and a molecular weight of 1685.34 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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158488557
Molecular FormulaC88H42F22N12
Molecular Weight1685.34 g/mol
Exact Mass1684.33
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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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.Fc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H22F14N6.C42H20F8N6/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;43-29-25(30(44)34(48)27(33(29)47)41-53-37(21-13-5-1-6-14-21)51-38(54-41)22-15-7-2-8-16-22)26-31(45)35(49)28(36(50)32(26)46)42-55-39(23-17-9-3-10-18-23)52-40(56-42)24-19-11-4-12-20-24/h3-18H,1-2H3;1-20H
InChIKeyHIKHVNOVNHBKOF-UHFFFAOYSA-N
XLogP24.33
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001685.34
LogP ≤ 524.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

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2-[4-[2-[10-[2-[4-[4,6-Bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
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2-[4-(3-Phenylphenyl)phenyl]-4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 89958075

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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 158488557) 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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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.Fc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HIKHVNOVNHBKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22F14N6.C42H20F8N6/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;43-29-25(30(44)34(48)27(33(29)47)41-53-37(21-13-5-1-6-14-21)51-38(54-41)22-15-7-2-8-16-22)26-31(45)35(49)28(36(50)32(26)46)42-55-39(23-17-9-3-10-18-23)52-40(56-42)24-19-11-4-12-20-24/h3-18H,1-2H3;1-20H.
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-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1685.34 g/mol, XLogP of 24.33, 14 rotatable bonds, 0 hydrogen bond donors, and 12 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;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158488557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).