5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole

C40H26N6 — CID 138463102

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C40H26N6/c1-4-12-27(13-5-1)28-20-22-29(23-21-28)32-24-25-35-36(26-32)45-34-19-11-10-18-33(34)41-40(45)46(35)39-43-37(30-14-6-2-7-15-30)42-38(44-39)31-16-8-3-9-17-31/h1-26H
InChIKeyRGXSGEKENCRGRN-UHFFFAOYSA-N
MW590.69 g/mol
LogP9.28
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 138463102) has the molecular formula C40H26N6 and a molecular weight of 590.69 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID138463102
Molecular FormulaC40H26N6
Molecular Weight590.69 g/mol
Exact Mass590.22
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C40H26N6/c1-4-12-27(13-5-1)28-20-22-29(23-21-28)32-24-25-35-36(26-32)45-34-19-11-10-18-33(34)41-40(45)46(35)39-43-37(30-14-6-2-7-15-30)42-38(44-39)31-16-8-3-9-17-31/h1-26H
InChIKeyRGXSGEKENCRGRN-UHFFFAOYSA-N
XLogP9.28
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948081
[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 168826577
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463113
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167399216
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 163720312
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 176871141
2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 161312115

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 138463102) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is RGXSGEKENCRGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N6/c1-4-12-27(13-5-1)28-20-22-29(23-21-28)32-24-25-35-36(26-32)45-34-19-11-10-18-33(34)41-40(45)46(35)39-43-37(30-14-6-2-7-15-30)42-38(44-39)31-16-8-3-9-17-31/h1-26H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 590.69 g/mol, XLogP of 9.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 138463102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).