2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole

C155H103F17N14 — CID 162051934

IUPAC2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole
SMILESCCc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)c3)nc3ccccc32)cc1.Cc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)c3)nc3ccccc32)cc1.FC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7cc(C(F)(F)F)ccc7c6)c6ccccc6c(-c6ccc7cc(C(F)(F)F)ccc7c6)c5c4)cc3)nc3ccccc32)cc1.FC(F)F
InChIInChI=1S/C56H31F9N2.C50H38F2N6.C48H33F3N6.CHF3/c57-54(58,59)41-22-24-44(25-23-41)67-50-8-4-3-7-49(50)66-53(67)33-11-9-32(10-12-33)38-19-26-47-48(31-38)52(40-16-14-37-30-43(56(63,64)65)21-18-35(37)28-40)46-6-2-1-5-45(46)51(47)39-15-13-36-29-42(55(60,61)62)20-17-34(36)27-39;1-4-33-19-25-39(26-20-33)57-45-15-9-6-12-42(45)54-48(57)35-29-34(47-53-41-11-5-8-14-44(41)56(47)38-23-17-32(2)18-24-38)30-36(31-35)49-55-43-13-7-10-16-46(43)58(49)40-27-21-37(22-28-40)50(3,51)52;1-30-15-21-36(22-16-30)55-42-12-6-3-9-39(42)52-45(55)32-27-33(46-53-40-10-4-7-13-43(40)56(46)37-23-17-31(2)18-24-37)29-34(28-32)47-54-41-11-5-8-14-44(41)57(47)38-25-19-35(20-26-38)48(49,50)51;2-1(3)4/h1-31H;5-31H,4H2,1-3H3;3-29H,1-2H3;1H
InChIKeyYYQUSFZUZHKLSY-UHFFFAOYSA-N
MW2484.59 g/mol
LogP43.57
Rot. Bonds19

About 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole

2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole (PubChem CID 162051934) has the molecular formula C155H103F17N14 and a molecular weight of 2484.59 g/mol. Its IUPAC name is 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole
PubChem CID162051934
Molecular FormulaC155H103F17N14
Molecular Weight2484.59 g/mol
Exact Mass2482.82
IUPAC Name2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole
SMILESCCc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)c3)nc3ccccc32)cc1.Cc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)c3)nc3ccccc32)cc1.FC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7cc(C(F)(F)F)ccc7c6)c6ccccc6c(-c6ccc7cc(C(F)(F)F)ccc7c6)c5c4)cc3)nc3ccccc32)cc1.FC(F)F
InChIInChI=1S/C56H31F9N2.C50H38F2N6.C48H33F3N6.CHF3/c57-54(58,59)41-22-24-44(25-23-41)67-50-8-4-3-7-49(50)66-53(67)33-11-9-32(10-12-33)38-19-26-47-48(31-38)52(40-16-14-37-30-43(56(63,64)65)21-18-35(37)28-40)46-6-2-1-5-45(46)51(47)39-15-13-36-29-42(55(60,61)62)20-17-34(36)27-39;1-4-33-19-25-39(26-20-33)57-45-15-9-6-12-42(45)54-48(57)35-29-34(47-53-41-11-5-8-14-44(41)56(47)38-23-17-32(2)18-24-38)30-36(31-35)49-55-43-13-7-10-16-46(43)58(49)40-27-21-37(22-28-40)50(3,51)52;1-30-15-21-36(22-16-30)55-42-12-6-3-9-39(42)52-45(55)32-27-33(46-53-40-10-4-7-13-43(40)56(46)37-23-17-31(2)18-24-37)29-34(28-32)47-54-41-11-5-8-14-44(41)57(47)38-25-19-35(20-26-38)48(49,50)51;2-1(3)4/h1-31H;5-31H,4H2,1-3H3;3-29H,1-2H3;1H
InChIKeyYYQUSFZUZHKLSY-UHFFFAOYSA-N
XLogP43.57
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002484.59
LogP ≤ 543.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole with MolForge

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Related Compounds

2-(4-(9,10-Di-naphthalen-2-yl-anthracen-2-yl)-phenyl)-1-phenyl-1H-benzoimidazole
CID 20771532
1,3,5-Tris(phenyl-2-benzimidazolyl)-benzene
CID 21932919
2-(4-(9h-Carbazol-9-yl)phenyl)-1-(3,5-difluorophenyl)-1h-phenanthro[9,10-d]imidazole
CID 171118274
1,2,4,5-Tetrakis(benzimidazol-2-yl)benzene
CID 78319297
2-Heptyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium
CID 132547215
3-(4-Methylphenyl)-2-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 101875829
2-(4-Fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 102194297
2-(4-Fluorophenyl)-1-(4-methylphenyl)-1H-phenanthro[9,10-d]imidazole
CID 123281339
Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
CID 139119653
1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 139244554
2-(Trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole
CID 166446510
6-Tert-butyl-1-naphthalen-1-yl-2-(trifluoromethyl)benzimidazole
CID 168333793

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole?
The IUPAC name of 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole (CID 162051934) is 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole?
The canonical SMILES for 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole is CCc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(C)(F)F)cc4)c3)nc3ccccc32)cc1.Cc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(C)cc4)cc(-c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)c3)nc3ccccc32)cc1.FC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7cc(C(F)(F)F)ccc7c6)c6ccccc6c(-c6ccc7cc(C(F)(F)F)ccc7c6)c5c4)cc3)nc3ccccc32)cc1.FC(F)F.
What is the InChIKey of 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole?
The InChIKey is YYQUSFZUZHKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31F9N2.C50H38F2N6.C48H33F3N6.CHF3/c57-54(58,59)41-22-24-44(25-23-41)67-50-8-4-3-7-49(50)66-53(67)33-11-9-32(10-12-33)38-19-26-47-48(31-38)52(40-16-14-37-30-43(56(63,64)65)21-18-35(37)28-40)46-6-2-1-5-45(46)51(47)39-15-13-36-29-42(55(60,61)62)20-17-34(36)27-39;1-4-33-19-25-39(26-20-33)57-45-15-9-6-12-42(45)54-48(57)35-29-34(47-53-41-11-5-8-14-44(41)56(47)38-23-17-32(2)18-24-38)30-36(31-35)49-55-43-13-7-10-16-46(43)58(49)40-27-21-37(22-28-40)50(3,51)52;1-30-15-21-36(22-16-30)55-42-12-6-3-9-39(42)52-45(55)32-27-33(46-53-40-10-4-7-13-43(40)56(46)37-23-17-31(2)18-24-37)29-34(28-32)47-54-41-11-5-8-14-44(41)57(47)38-25-19-35(20-26-38)48(49,50)51;2-1(3)4/h1-31H;5-31H,4H2,1-3H3;3-29H,1-2H3;1H.
What are the key properties of 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole?
2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole has a molecular weight of 2484.59 g/mol, XLogP of 43.57, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,10-bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;1-[4-(1,1-difluoroethyl)phenyl]-2-[3-[1-(4-ethylphenyl)benzimidazol-2-yl]-5-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]benzimidazole;fluoroform;1-(4-methylphenyl)-2-[3-[1-(4-methylphenyl)benzimidazol-2-yl]-5-[1-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 162051934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).