8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole

C55H37N5O — CID 168832454

About 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole

8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole (PubChem CID 168832454) has the molecular formula C55H37N5O and a molecular weight of 783.94 g/mol. Its IUPAC name is 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole.

Molecular Properties

• Compound Name: 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole
• PubChem CID: 168832454
• Molecular Formula: C55H37N5O
• Molecular Weight: 783.94 g/mol
• Exact Mass: 783.30
• IUPAC Name: 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c1ccc1nc(-c3ccccc3)oc21
• InChI: InChI=1S/C55H37N5O/c1-55(2)44-28-29-46-50(61-54(56-46)36-19-10-5-11-20-36)49(44)42-27-25-38(33-45(42)55)37-26-30-48-43(32-37)41-23-12-13-24-47(41)60(48)40-22-14-21-39(31-40)53-58-51(34-15-6-3-7-16-34)57-52(59-53)35-17-8-4-9-18-35/h3-33H,1-2H3
• InChIKey: GVKIECYXYNYROV-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.94
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole?

The IUPAC name of 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole (CID 168832454) is 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole.

What is the SMILES notation for 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole?

The canonical SMILES for 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c1ccc1nc(-c3ccccc3)oc21.

What is the InChIKey of 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole?

The InChIKey is GVKIECYXYNYROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5O/c1-55(2)44-28-29-46-50(61-54(56-46)36-19-10-5-11-20-36)49(44)42-27-25-38(33-45(42)55)37-26-30-48-43(32-37)41-23-12-13-24-47(41)60(48)40-22-14-21-39(31-40)53-58-51(34-15-6-3-7-16-34)57-52(59-53)35-17-8-4-9-18-35/h3-33H,1-2H3.

What are the key properties of 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole?

8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole has a molecular weight of 783.94 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 168832454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).