8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole

C45H26N6O2S — CID 118532637

About 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole

8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole (PubChem CID 118532637) has the molecular formula C45H26N6O2S and a molecular weight of 714.81 g/mol. Its IUPAC name is 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

• Compound Name: 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole
• PubChem CID: 118532637
• Molecular Formula: C45H26N6O2S
• Molecular Weight: 714.81 g/mol
• Exact Mass: 714.18
• IUPAC Name: 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole
• SMILES: c1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4sc(-c5ccccc5)nc4c(-n4c5ccccc5n5c6ccccc6nc45)c3o2)cc1
• InChI: InChI=1S/C45H26N6O2S/c1-3-15-27(16-4-1)43-47-37-40(49-33-23-11-13-25-35(33)52-36-26-14-12-24-34(36)49)42-38(48-44(54-42)28-17-5-2-6-18-28)39(41(37)53-43)51-32-22-10-9-21-31(32)50-30-20-8-7-19-29(30)46-45(50)51/h1-26H
• InChIKey: BSUYWYVPSCEXHJ-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 73.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.81
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole?

The IUPAC name of 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole (CID 118532637) is 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole.

What is the SMILES notation for 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole?

The canonical SMILES for 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole is c1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4sc(-c5ccccc5)nc4c(-n4c5ccccc5n5c6ccccc6nc45)c3o2)cc1.

What is the InChIKey of 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole?

The InChIKey is BSUYWYVPSCEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N6O2S/c1-3-15-27(16-4-1)43-47-37-40(49-33-23-11-13-25-35(33)52-36-26-14-12-24-34(36)49)42-38(48-44(54-42)28-17-5-2-6-18-28)39(41(37)53-43)51-32-22-10-9-21-31(32)50-30-20-8-7-19-29(30)46-45(50)51/h1-26H.

What are the key properties of 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole?

8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole has a molecular weight of 714.81 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 118532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).