2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform

C99H67F13N12 — CID 160690266

IUPAC2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform
SMILESCc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)c3)nc3ccccc32)cc1.Cc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)c3)nc3ccccc32)cc1.FC(F)F
InChIInChI=1S/C50H36F4N6.C48H30F6N6.CHF3/c1-31-16-22-37(23-17-31)58-43-13-7-4-10-40(43)55-46(58)32-28-33(47-56-41-11-5-8-14-44(41)59(47)38-24-18-35(19-25-38)49(2,51)52)30-34(29-32)48-57-42-12-6-9-15-45(42)60(48)39-26-20-36(21-27-39)50(3,53)54;1-29-14-20-35(21-15-29)58-41-11-5-2-8-38(41)55-44(58)30-26-31(45-56-39-9-3-6-12-42(39)59(45)36-22-16-33(17-23-36)47(49,50)51)28-32(27-30)46-57-40-10-4-7-13-43(40)60(46)37-24-18-34(19-25-37)48(52,53)54;2-1(3)4/h4-30H,1-3H3;2-28H,1H3;1H
InChIKeyRPHVXTJZIZMGJY-UHFFFAOYSA-N
MW1671.68 g/mol
LogP27.46
Rot. Bonds14

About 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform

2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform (PubChem CID 160690266) has the molecular formula C99H67F13N12 and a molecular weight of 1671.68 g/mol. Its IUPAC name is 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform.

Molecular Properties

Compound Name2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform
PubChem CID160690266
Molecular FormulaC99H67F13N12
Molecular Weight1671.68 g/mol
Exact Mass1670.54
IUPAC Name2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform
SMILESCc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)c3)nc3ccccc32)cc1.Cc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)c3)nc3ccccc32)cc1.FC(F)F
InChIInChI=1S/C50H36F4N6.C48H30F6N6.CHF3/c1-31-16-22-37(23-17-31)58-43-13-7-4-10-40(43)55-46(58)32-28-33(47-56-41-11-5-8-14-44(41)59(47)38-24-18-35(19-25-38)49(2,51)52)30-34(29-32)48-57-42-12-6-9-15-45(42)60(48)39-26-20-36(21-27-39)50(3,53)54;1-29-14-20-35(21-15-29)58-41-11-5-2-8-38(41)55-44(58)30-26-31(45-56-39-9-3-6-12-42(39)59(45)36-22-16-33(17-23-36)47(49,50)51)28-32(27-30)46-57-40-10-4-7-13-43(40)60(46)37-24-18-34(19-25-37)48(52,53)54;2-1(3)4/h4-30H,1-3H3;2-28H,1H3;1H
InChIKeyRPHVXTJZIZMGJY-UHFFFAOYSA-N
XLogP27.46
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.68
LogP ≤ 527.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform with MolForge

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Related Compounds

Benzimidazolium, tris(1-dodecyl-3-methyl-2-phenyl-, ferricyanide
CID 81692
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CID 44397565
1,3,5-Tris(phenyl-2-benzimidazolyl)-benzene
CID 21932919
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
5,5'-[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl-1H-benzimidazole]
CID 66629958
CID 101913111
CID 101913111
2-(4-(9h-Carbazol-9-yl)phenyl)-1-(3,5-difluorophenyl)-1h-phenanthro[9,10-d]imidazole
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2-[3,5-Bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole
CID 59342697
1,2,4,5-Tetrakis(benzimidazol-2-yl)benzene
CID 78319297
4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-1-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propylbenzimidazole
CID 9916555
disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)
CID 139129189
Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
CID 139131436

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform?
The IUPAC name of 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform (CID 160690266) is 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform.
What is the SMILES notation for 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform?
The canonical SMILES for 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform is Cc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)c3)nc3ccccc32)cc1.Cc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)c3)nc3ccccc32)cc1.FC(F)F.
What is the InChIKey of 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform?
The InChIKey is RPHVXTJZIZMGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36F4N6.C48H30F6N6.CHF3/c1-31-16-22-37(23-17-31)58-43-13-7-4-10-40(43)55-46(58)32-28-33(47-56-41-11-5-8-14-44(41)59(47)38-24-18-35(19-25-38)49(2,51)52)30-34(29-32)48-57-42-12-6-9-15-45(42)60(48)39-26-20-36(21-27-39)50(3,53)54;1-29-14-20-35(21-15-29)58-41-11-5-2-8-38(41)55-44(58)30-26-31(45-56-39-9-3-6-12-42(39)59(45)36-22-16-33(17-23-36)47(49,50)51)28-32(27-30)46-57-40-10-4-7-13-43(40)60(46)37-24-18-34(19-25-37)48(52,53)54;2-1(3)4/h4-30H,1-3H3;2-28H,1H3;1H.
What are the key properties of 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform?
2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform has a molecular weight of 1671.68 g/mol, XLogP of 27.46, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-(4-methylphenyl)benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-[4-(1,1-difluoroethyl)phenyl]benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform is sourced from PubChem (CID 160690266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).