3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole

C28H18N8 — CID 11236662

IUPAC3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESc1ccc(-n2nc(-c3nn(-c4ccccc4)c4nc5ccccc5n34)n3c4ccccc4nc23)cc1
InChIInChI=1S/C28H18N8/c1-3-11-19(12-4-1)35-27-29-21-15-7-9-17-23(21)33(27)25(31-35)26-32-36(20-13-5-2-6-14-20)28-30-22-16-8-10-18-24(22)34(26)28/h1-18H
InChIKeyHYOQCNFSZULWHI-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.33
Rot. Bonds3

About 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole

3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole (PubChem CID 11236662) has the molecular formula C28H18N8 and a molecular weight of 466.51 g/mol. Its IUPAC name is 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole.

Molecular Properties

Compound Name3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole
PubChem CID11236662
Molecular FormulaC28H18N8
Molecular Weight466.51 g/mol
Exact Mass466.17
IUPAC Name3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESc1ccc(-n2nc(-c3nn(-c4ccccc4)c4nc5ccccc5n34)n3c4ccccc4nc23)cc1
InChIInChI=1S/C28H18N8/c1-3-11-19(12-4-1)35-27-29-21-15-7-9-17-23(21)33(27)25(31-35)26-32-36(20-13-5-2-6-14-20)28-30-22-16-8-10-18-24(22)34(26)28/h1-18H
InChIKeyHYOQCNFSZULWHI-UHFFFAOYSA-N
XLogP5.33
TPSA70.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(furan-2-yl)-3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-a]benzimidazole
CID 1284656
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CID 44622931
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140911181
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
3-[4-(7-oxo-1,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]-1,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 102097082
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
13-(3,5-dimethylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
CID 146652312

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole?
The IUPAC name of 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole (CID 11236662) is 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole.
What is the SMILES notation for 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole?
The canonical SMILES for 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole is c1ccc(-n2nc(-c3nn(-c4ccccc4)c4nc5ccccc5n34)n3c4ccccc4nc23)cc1.
What is the InChIKey of 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole?
The InChIKey is HYOQCNFSZULWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N8/c1-3-11-19(12-4-1)35-27-29-21-15-7-9-17-23(21)33(27)25(31-35)26-32-36(20-13-5-2-6-14-20)28-30-22-16-8-10-18-24(22)34(26)28/h1-18H.
What are the key properties of 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole?
3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole has a molecular weight of 466.51 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole is sourced from PubChem (CID 11236662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).