2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole

C34H21F2N5 — CID 155173901

IUPAC2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
SMILESFc1cc(F)cc(-c2nc3ccccc3n2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C34H21F2N5/c35-25-19-24(20-26(36)21-25)34-37-28-16-8-10-18-30(28)41(34)29-17-9-7-15-27(29)33-39-31(22-11-3-1-4-12-22)38-32(40-33)23-13-5-2-6-14-23/h1-21H
InChIKeyVIKAHVYXEJEFRU-UHFFFAOYSA-N
MW537.57 g/mol
LogP8.16
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole

2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole (PubChem CID 155173901) has the molecular formula C34H21F2N5 and a molecular weight of 537.57 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
PubChem CID155173901
Molecular FormulaC34H21F2N5
Molecular Weight537.57 g/mol
Exact Mass537.18
IUPAC Name2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
SMILESFc1cc(F)cc(-c2nc3ccccc3n2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C34H21F2N5/c35-25-19-24(20-26(36)21-25)34-37-28-16-8-10-18-30(28)41(34)29-17-9-7-15-27(29)33-39-31(22-11-3-1-4-12-22)38-32(40-33)23-13-5-2-6-14-23/h1-21H
InChIKeyVIKAHVYXEJEFRU-UHFFFAOYSA-N
XLogP8.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.57
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 176879180
1-[2-[4-phenyl-6-[2-[2-(2-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(2-propan-2-ylphenyl)benzimidazole
CID 155185803
2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
CID 155173980
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole
CID 134472400
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
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-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
CID 155173981
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole (CID 155173901) is 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole is Fc1cc(F)cc(-c2nc3ccccc3n2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole?
The InChIKey is VIKAHVYXEJEFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F2N5/c35-25-19-24(20-26(36)21-25)34-37-28-16-8-10-18-30(28)41(34)29-17-9-7-15-27(29)33-39-31(22-11-3-1-4-12-22)38-32(40-33)23-13-5-2-6-14-23/h1-21H.
What are the key properties of 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole?
2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole has a molecular weight of 537.57 g/mol, XLogP of 8.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 155173901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).