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

C53H43N7 — CID 155173829

IUPAC1-[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
SMILESCC(C)c1ccc(-c2nc3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c(-c4ccc(C(C)C)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C53H43N7/c1-34(2)36-23-27-40(28-24-36)52-54-45-19-11-13-21-47(45)59(52)43-31-42(51-57-49(38-15-7-5-8-16-38)56-50(58-51)39-17-9-6-10-18-39)32-44(33-43)60-48-22-14-12-20-46(48)55-53(60)41-29-25-37(26-30-41)35(3)4/h5-35H,1-4H3
InChIKeyNXACDYUKODLTMP-UHFFFAOYSA-N
MW777.98 g/mol
LogP13.13
Rot. Bonds9

About 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

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 (PubChem CID 155173829) has the molecular formula C53H43N7 and a molecular weight of 777.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID155173829
Molecular FormulaC53H43N7
Molecular Weight777.98 g/mol
Exact Mass777.36
IUPAC Name1-[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
SMILESCC(C)c1ccc(-c2nc3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c(-c4ccc(C(C)C)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C53H43N7/c1-34(2)36-23-27-40(28-24-36)52-54-45-19-11-13-21-47(45)59(52)43-31-42(51-57-49(38-15-7-5-8-16-38)56-50(58-51)39-17-9-6-10-18-39)32-44(33-43)60-48-22-14-12-20-46(48)55-53(60)41-29-25-37(26-30-41)35(3)4/h5-35H,1-4H3
InChIKeyNXACDYUKODLTMP-UHFFFAOYSA-N
XLogP13.13
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.98
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole
CID 155179260
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(2-methylphenyl)benzimidazol-1-yl]phenyl]-2-(2-methylphenyl)benzimidazole
CID 155173960
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
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
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-2-pyridin-3-ylbenzimidazole
CID 155173875
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
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(-c2nc3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c(-c4ccc(C(C)C)cc4)nc4ccccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is NXACDYUKODLTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N7/c1-34(2)36-23-27-40(28-24-36)52-54-45-19-11-13-21-47(45)59(52)43-31-42(51-57-49(38-15-7-5-8-16-38)56-50(58-51)39-17-9-6-10-18-39)32-44(33-43)60-48-22-14-12-20-46(48)55-53(60)41-29-25-37(26-30-41)35(3)4/h5-35H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 777.98 g/mol, XLogP of 13.13, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155173829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).