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

C53H35N7 — CID 155186007

IUPAC2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)n2)cc1
InChIInChI=1S/C53H35N7/c1-4-20-36(21-5-1)39-26-10-11-27-40(39)49-56-50(41-28-12-16-32-45(41)59-47-34-18-14-30-43(47)54-52(59)37-22-6-2-7-23-37)58-51(57-49)42-29-13-17-33-46(42)60-48-35-19-15-31-44(48)55-53(60)38-24-8-3-9-25-38/h1-35H
InChIKeyXCMCHJLMNSWCHZ-UHFFFAOYSA-N
MW769.91 g/mol
LogP12.55
Rot. Bonds8

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

2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole (PubChem CID 155186007) has the molecular formula C53H35N7 and a molecular weight of 769.91 g/mol. Its IUPAC name is 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
PubChem CID155186007
Molecular FormulaC53H35N7
Molecular Weight769.91 g/mol
Exact Mass769.30
IUPAC Name2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)n2)cc1
InChIInChI=1S/C53H35N7/c1-4-20-36(21-5-1)39-26-10-11-27-40(39)49-56-50(41-28-12-16-32-45(41)59-47-34-18-14-30-43(47)54-52(59)37-22-6-2-7-23-37)58-51(57-49)42-29-13-17-33-46(42)60-48-35-19-15-31-44(48)55-53(60)38-24-8-3-9-25-38/h1-35H
InChIKeyXCMCHJLMNSWCHZ-UHFFFAOYSA-N
XLogP12.55
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.91
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 176879180
2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173901
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
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
CID 143996079
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-phenyl-3-[4-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6H-cyclohepta[d]imidazole
CID 155186078
1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole
CID 155186055
1-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169071303
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The IUPAC name of 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole (CID 155186007) is 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole is c1ccc(-c2ccccc2-c2nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The InChIKey is XCMCHJLMNSWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N7/c1-4-20-36(21-5-1)39-26-10-11-27-40(39)49-56-50(41-28-12-16-32-45(41)59-47-34-18-14-30-43(47)54-52(59)37-22-6-2-7-23-37)58-51(57-49)42-29-13-17-33-46(42)60-48-35-19-15-31-44(48)55-53(60)38-24-8-3-9-25-38/h1-35H.
What are the key properties of 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole?
2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole has a molecular weight of 769.91 g/mol, XLogP of 12.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 155186007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).