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

C48H31N9 — CID 155179347

IUPAC2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5ccccc5n4-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C48H31N9/c1-5-16-32(17-6-1)42-51-43(33-18-7-2-8-19-33)54-46(53-42)36-28-37(47-55-44(34-20-9-3-10-21-34)52-45(56-47)35-22-11-4-12-23-35)30-38(29-36)48-50-40-25-13-14-26-41(40)57(48)39-24-15-27-49-31-39/h1-31H
InChIKeyQSQKWJDULDQOHS-UHFFFAOYSA-N
MW733.84 g/mol
LogP10.46
Rot. Bonds8

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

2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole (PubChem CID 155179347) has the molecular formula C48H31N9 and a molecular weight of 733.84 g/mol. Its IUPAC name is 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
PubChem CID155179347
Molecular FormulaC48H31N9
Molecular Weight733.84 g/mol
Exact Mass733.27
IUPAC Name2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5ccccc5n4-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C48H31N9/c1-5-16-32(17-6-1)42-51-43(33-18-7-2-8-19-33)54-46(53-42)36-28-37(47-55-44(34-20-9-3-10-21-34)52-45(56-47)35-22-11-4-12-23-35)30-38(29-36)48-50-40-25-13-14-26-41(40)57(48)39-24-15-27-49-31-39/h1-31H
InChIKeyQSQKWJDULDQOHS-UHFFFAOYSA-N
XLogP10.46
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.84
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-[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-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
CID 89196743
CID 89196743
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
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
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
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole?
The IUPAC name of 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole (CID 155179347) is 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole?
The canonical SMILES for 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5ccccc5n4-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole?
The InChIKey is QSQKWJDULDQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N9/c1-5-16-32(17-6-1)42-51-43(33-18-7-2-8-19-33)54-46(53-42)36-28-37(47-55-44(34-20-9-3-10-21-34)52-45(56-47)35-22-11-4-12-23-35)30-38(29-36)48-50-40-25-13-14-26-41(40)57(48)39-24-15-27-49-31-39/h1-31H.
What are the key properties of 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole?
2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole has a molecular weight of 733.84 g/mol, XLogP of 10.46, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 155179347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).