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

C49H32N8 — CID 155179256

IUPAC1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c(-c5ccccc5)nc5ccccc54)c3)n2)cc1
InChIInChI=1S/C49H32N8/c1-6-18-33(19-7-1)43-51-44(34-20-8-2-9-21-34)54-47(53-43)38-30-39(48-55-45(35-22-10-3-11-23-35)52-46(56-48)36-24-12-4-13-25-36)32-40(31-38)57-42-29-17-16-28-41(42)50-49(57)37-26-14-5-15-27-37/h1-32H
InChIKeyWYTSTQAJTLUZPX-UHFFFAOYSA-N
MW732.85 g/mol
LogP11.06
Rot. Bonds8

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

1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 155179256) has the molecular formula C49H32N8 and a molecular weight of 732.85 g/mol. Its IUPAC name is 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
PubChem CID155179256
Molecular FormulaC49H32N8
Molecular Weight732.85 g/mol
Exact Mass732.27
IUPAC Name1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c(-c5ccccc5)nc5ccccc54)c3)n2)cc1
InChIInChI=1S/C49H32N8/c1-6-18-33(19-7-1)43-51-44(34-20-8-2-9-21-34)54-47(53-43)38-30-39(48-55-45(35-22-10-3-11-23-35)52-46(56-48)36-24-12-4-13-25-36)32-40(31-38)57-42-29-17-16-28-41(42)50-49(57)37-26-14-5-15-27-37/h1-32H
InChIKeyWYTSTQAJTLUZPX-UHFFFAOYSA-N
XLogP11.06
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.85
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
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-diphenyl-1,3,5-triazin-2-yl)-5-[2-(2-methylphenyl)benzimidazol-1-yl]phenyl]-2-(2-methylphenyl)benzimidazole
CID 155173960
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-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845
2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155179347
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155173902

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole (CID 155179256) is 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c(-c5ccccc5)nc5ccccc54)c3)n2)cc1.
What is the InChIKey of 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is WYTSTQAJTLUZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N8/c1-6-18-33(19-7-1)43-51-44(34-20-8-2-9-21-34)54-47(53-43)38-30-39(48-55-45(35-22-10-3-11-23-35)52-46(56-48)36-24-12-4-13-25-36)32-40(31-38)57-42-29-17-16-28-41(42)50-49(57)37-26-14-5-15-27-37/h1-32H.
What are the key properties of 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole?
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 732.85 g/mol, XLogP of 11.06, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 155179256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).