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

C32H26N6 — CID 170295081

IUPAC5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc(-c2nc(-c3cccc(C)c3C)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)c1C
InChIInChI=1S/C32H26N6/c1-19-11-9-13-23(21(19)3)29-34-30(24-14-10-12-20(2)22(24)4)36-31(35-29)38-28-18-8-7-17-27(28)37-26-16-6-5-15-25(26)33-32(37)38/h5-18H,1-4H3
InChIKeyFKIIJDJFESMUNU-UHFFFAOYSA-N
MW494.60 g/mol
LogP7.18
Rot. Bonds3

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

5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 170295081) has the molecular formula C32H26N6 and a molecular weight of 494.60 g/mol. Its IUPAC name is 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID170295081
Molecular FormulaC32H26N6
Molecular Weight494.60 g/mol
Exact Mass494.22
IUPAC Name5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc(-c2nc(-c3cccc(C)c3C)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)c1C
InChIInChI=1S/C32H26N6/c1-19-11-9-13-23(21(19)3)29-34-30(24-14-10-12-20(2)22(24)4)36-31(35-29)38-28-18-8-7-17-27(28)37-26-16-6-5-15-25(26)33-32(37)38/h5-18H,1-4H3
InChIKeyFKIIJDJFESMUNU-UHFFFAOYSA-N
XLogP7.18
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2,3-dimethylphenyl)-6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-1,3,5-triazin-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole
CID 170295075
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 146626433
5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 168811214
5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrimidin-2-yl]benzimidazolo[1,2-a]benzimidazole;5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 162014361
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
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
CID 122592030
2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463113
CID 174141767
CID 174141767

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 170295081) is 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole is Cc1cccc(-c2nc(-c3cccc(C)c3C)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)c1C.
What is the InChIKey of 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is FKIIJDJFESMUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6/c1-19-11-9-13-23(21(19)3)29-34-30(24-14-10-12-20(2)22(24)4)36-31(35-29)38-28-18-8-7-17-27(28)37-26-16-6-5-15-25(26)33-32(37)38/h5-18H,1-4H3.
What are the key properties of 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 494.60 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 170295081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).