2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole

C51H27F12N7 — CID 155173885

IUPAC2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)c3)n2)cc1
InChIInChI=1S/C51H27F12N7/c52-48(53,54)33-19-15-28(16-20-33)43-66-44(29-17-21-34(22-18-29)49(55,56)57)68-45(67-43)30-23-31(46-64-39-11-1-3-13-41(39)69(46)37-9-5-7-35(26-37)50(58,59)60)25-32(24-30)47-65-40-12-2-4-14-42(40)70(47)38-10-6-8-36(27-38)51(61,62)63/h1-27H
InChIKeyYBKLTZANUQIWQQ-UHFFFAOYSA-N
MW965.80 g/mol
LogP14.96
Rot. Bonds7

About 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole

2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole (PubChem CID 155173885) has the molecular formula C51H27F12N7 and a molecular weight of 965.80 g/mol. Its IUPAC name is 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole
PubChem CID155173885
Molecular FormulaC51H27F12N7
Molecular Weight965.80 g/mol
Exact Mass965.21
IUPAC Name2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)c3)n2)cc1
InChIInChI=1S/C51H27F12N7/c52-48(53,54)33-19-15-28(16-20-33)43-66-44(29-17-21-34(22-18-29)49(55,56)57)68-45(67-43)30-23-31(46-64-39-11-1-3-13-41(39)69(46)37-9-5-7-35(26-37)50(58,59)60)25-32(24-30)47-65-40-12-2-4-14-42(40)70(47)38-10-6-8-36(27-38)51(61,62)63/h1-27H
InChIKeyYBKLTZANUQIWQQ-UHFFFAOYSA-N
XLogP14.96
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.80
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845
2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186086
2-[3,5-bis[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
CID 155179345
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 42643617
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155179347
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155173902
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
CID 155173980

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole?
The IUPAC name of 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole (CID 155173885) is 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole.
What is the SMILES notation for 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole?
The canonical SMILES for 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole is FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole?
The InChIKey is YBKLTZANUQIWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H27F12N7/c52-48(53,54)33-19-15-28(16-20-33)43-66-44(29-17-21-34(22-18-29)49(55,56)57)68-45(67-43)30-23-31(46-64-39-11-1-3-13-41(39)69(46)37-9-5-7-35(26-37)50(58,59)60)25-32(24-30)47-65-40-12-2-4-14-42(40)70(47)38-10-6-8-36(27-38)51(61,62)63/h1-27H.
What are the key properties of 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole?
2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole has a molecular weight of 965.80 g/mol, XLogP of 14.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole is sourced from PubChem (CID 155173885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).