2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole

C95H60F6N4 — CID 91514084

IUPAC2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole
SMILESFC(F)(F)Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1.FC(F)(F)c1ccc2c(c1)nc(-c1cccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c1)n2-c1ccccc1
InChIInChI=1S/C48H29F3N2.C47H31F3N2/c49-48(50,51)33-25-26-44-43(29-33)52-47(53(44)34-16-2-1-3-17-34)32-15-12-14-31(27-32)45-38-21-8-10-23-40(38)46(41-24-11-9-22-39(41)45)42-28-30-13-4-5-18-35(30)36-19-6-7-20-37(36)42;48-47(49,50)30-31-22-27-43-42(28-31)51-46(35-14-5-2-6-15-35)52(43)37-17-11-16-36(29-37)45-40-20-9-7-18-38(40)44(39-19-8-10-21-41(39)45)34-25-23-33(24-26-34)32-12-3-1-4-13-32/h1-29H;1-29H,30H2
InChIKeyIYHMETJUTNKYNG-UHFFFAOYSA-N
MW1371.54 g/mol
LogP26.76
Rot. Bonds10

About 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole

2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole (PubChem CID 91514084) has the molecular formula C95H60F6N4 and a molecular weight of 1371.54 g/mol. Its IUPAC name is 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole.

Molecular Properties

Compound Name2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole
PubChem CID91514084
Molecular FormulaC95H60F6N4
Molecular Weight1371.54 g/mol
Exact Mass1370.47
IUPAC Name2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole
SMILESFC(F)(F)Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1.FC(F)(F)c1ccc2c(c1)nc(-c1cccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c1)n2-c1ccccc1
InChIInChI=1S/C48H29F3N2.C47H31F3N2/c49-48(50,51)33-25-26-44-43(29-33)52-47(53(44)34-16-2-1-3-17-34)32-15-12-14-31(27-32)45-38-21-8-10-23-40(38)46(41-24-11-9-22-39(41)45)42-28-30-13-4-5-18-35(30)36-19-6-7-20-37(36)42;48-47(49,50)30-31-22-27-43-42(28-31)51-46(35-14-5-2-6-15-35)52(43)37-17-11-16-36(29-37)45-40-20-9-7-18-38(40)44(39-19-8-10-21-41(39)45)34-25-23-33(24-26-34)32-12-3-1-4-13-32/h1-29H;1-29H,30H2
InChIKeyIYHMETJUTNKYNG-UHFFFAOYSA-N
XLogP26.76
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.54
LogP ≤ 526.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile
CID 10715112
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine
CID 11454030
1-[[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 25147556
3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 122191973
3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 122191975
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CID 134133867
2-Ethyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium bromide
CID 134134249
2-Butyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium bromide
CID 134135179
1,3-Bis(naphthalen-2-ylmethyl)-2-propylbenzimidazol-3-ium bromide
CID 134151498
5,6-Dimethyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium bromide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole?
The IUPAC name of 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole (CID 91514084) is 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole.
What is the SMILES notation for 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole?
The canonical SMILES for 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole is FC(F)(F)Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1.FC(F)(F)c1ccc2c(c1)nc(-c1cccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c1)n2-c1ccccc1.
What is the InChIKey of 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole?
The InChIKey is IYHMETJUTNKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F3N2.C47H31F3N2/c49-48(50,51)33-25-26-44-43(29-33)52-47(53(44)34-16-2-1-3-17-34)32-15-12-14-31(27-32)45-38-21-8-10-23-40(38)46(41-24-11-9-22-39(41)45)42-28-30-13-4-5-18-35(30)36-19-6-7-20-37(36)42;48-47(49,50)30-31-22-27-43-42(28-31)51-46(35-14-5-2-6-15-35)52(43)37-17-11-16-36(29-37)45-40-20-9-7-18-38(40)44(39-19-8-10-21-41(39)45)34-25-23-33(24-26-34)32-12-3-1-4-13-32/h1-29H;1-29H,30H2.
What are the key properties of 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole?
2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole has a molecular weight of 1371.54 g/mol, XLogP of 26.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole;2-phenyl-1-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-5-(2,2,2-trifluoroethyl)benzimidazole is sourced from PubChem (CID 91514084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).