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

C47H31N7 — CID 155173927

IUPAC1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c(-c5ccccc5)nc5ccccc54)cc(-n4c(-c5ccccc5)nc5ccccc54)c3)n2)cc1
InChIInChI=1S/C47H31N7/c1-5-17-32(18-6-1)43-50-44(33-19-7-2-8-20-33)52-45(51-43)36-29-37(53-41-27-15-13-25-39(41)48-46(53)34-21-9-3-10-22-34)31-38(30-36)54-42-28-16-14-26-40(42)49-47(54)35-23-11-4-12-24-35/h1-31H
InChIKeyOQFMIUQQRXFCRD-UHFFFAOYSA-N
MW693.81 g/mol
LogP10.88
Rot. Bonds7

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

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 155173927) has the molecular formula C47H31N7 and a molecular weight of 693.81 g/mol. Its IUPAC name is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
PubChem CID155173927
Molecular FormulaC47H31N7
Molecular Weight693.81 g/mol
Exact Mass693.26
IUPAC Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c(-c5ccccc5)nc5ccccc54)cc(-n4c(-c5ccccc5)nc5ccccc54)c3)n2)cc1
InChIInChI=1S/C47H31N7/c1-5-17-32(18-6-1)43-50-44(33-19-7-2-8-20-33)52-45(51-43)36-29-37(53-41-27-15-13-25-39(41)48-46(53)34-21-9-3-10-22-34)31-38(30-36)54-42-28-16-14-26-40(42)49-47(54)35-23-11-4-12-24-35/h1-31H
InChIKeyOQFMIUQQRXFCRD-UHFFFAOYSA-N
XLogP10.88
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
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-[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-[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-[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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole (CID 155173927) is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c(-c5ccccc5)nc5ccccc54)cc(-n4c(-c5ccccc5)nc5ccccc54)c3)n2)cc1.
What is the InChIKey of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is OQFMIUQQRXFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N7/c1-5-17-32(18-6-1)43-50-44(33-19-7-2-8-20-33)52-45(51-43)36-29-37(53-41-27-15-13-25-39(41)48-46(53)34-21-9-3-10-22-34)31-38(30-36)54-42-28-16-14-26-40(42)49-47(54)35-23-11-4-12-24-35/h1-31H.
What are the key properties of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 693.81 g/mol, XLogP of 10.88, 7 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-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 155173927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).