11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole

C36H22N6O — CID 121357067

About 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole

11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 121357067) has the molecular formula C36H22N6O and a molecular weight of 554.61 g/mol. Its IUPAC name is 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 121357067
• Molecular Formula: C36H22N6O
• Molecular Weight: 554.61 g/mol
• Exact Mass: 554.19
• IUPAC Name: 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3ccnc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1
• InChI: InChI=1S/C36H22N6O/c1-3-11-23(12-4-1)33-38-34(24-13-5-2-6-14-24)40-35(39-33)41-20-19-37-36(41)42-29-17-9-7-15-25(29)27-22-32-28(21-30(27)42)26-16-8-10-18-31(26)43-32/h1-22H
• InChIKey: ZXXIRBBUVSMGHE-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 74.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.61
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole (CID 121357067) is 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3ccnc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1.

What is the InChIKey of 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is ZXXIRBBUVSMGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6O/c1-3-11-23(12-4-1)33-38-34(24-13-5-2-6-14-24)40-35(39-33)41-20-19-37-36(41)42-29-17-9-7-15-25(29)27-22-32-28(21-30(27)42)26-16-8-10-18-31(26)43-32/h1-22H.

What are the key properties of 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole?

11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 554.61 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)imidazol-2-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 121357067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).