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

C58H42N8 — CID 155179260

IUPAC1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1cccc(-c2nc3ccccc3n2-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1
InChIInChI=1S/C58H42N8/c1-38(2)43-27-17-29-45(33-43)58-59-50-31-15-16-32-51(50)66(58)49-30-18-28-44(37-49)46-34-47(56-62-52(39-19-7-3-8-20-39)60-53(63-56)40-21-9-4-10-22-40)36-48(35-46)57-64-54(41-23-11-5-12-24-41)61-55(65-57)42-25-13-6-14-26-42/h3-38H,1-2H3
InChIKeyBYIKTULNLICEHS-UHFFFAOYSA-N
MW851.03 g/mol
LogP13.85
Rot. Bonds10

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

1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole (PubChem CID 155179260) has the molecular formula C58H42N8 and a molecular weight of 851.03 g/mol. Its IUPAC name is 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole
PubChem CID155179260
Molecular FormulaC58H42N8
Molecular Weight851.03 g/mol
Exact Mass850.35
IUPAC Name1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1cccc(-c2nc3ccccc3n2-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1
InChIInChI=1S/C58H42N8/c1-38(2)43-27-17-29-45(33-43)58-59-50-31-15-16-32-51(50)66(58)49-30-18-28-44(37-49)46-34-47(56-62-52(39-19-7-3-8-20-39)60-53(63-56)40-21-9-4-10-22-40)36-48(35-46)57-64-54(41-23-11-5-12-24-41)61-55(65-57)42-25-13-6-14-26-42/h3-38H,1-2H3
InChIKeyBYIKTULNLICEHS-UHFFFAOYSA-N
XLogP13.85
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.03
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 155173829
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966
2-[3-[4-phenyl-6-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-3-ylbenzimidazole
CID 155185764
1-phenyl-2-[4-[3-[4-[4-(4,5,6-trimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]benzimidazole
CID 147177465
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
1-[3,5-di(propan-2-yl)phenyl]-2-[2-[4-[2-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186043
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155179347

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole (CID 155179260) is 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole is CC(C)c1cccc(-c2nc3ccccc3n2-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1.
What is the InChIKey of 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole?
The InChIKey is BYIKTULNLICEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N8/c1-38(2)43-27-17-29-45(33-43)58-59-50-31-15-16-32-51(50)66(58)49-30-18-28-44(37-49)46-34-47(56-62-52(39-19-7-3-8-20-39)60-53(63-56)40-21-9-4-10-22-40)36-48(35-46)57-64-54(41-23-11-5-12-24-41)61-55(65-57)42-25-13-6-14-26-42/h3-38H,1-2H3.
What are the key properties of 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole?
1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole has a molecular weight of 851.03 g/mol, XLogP of 13.85, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 155179260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).