9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C48H29N7S — CID 155050277

About 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 155050277) has the molecular formula C48H29N7S and a molecular weight of 735.88 g/mol. Its IUPAC name is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 155050277
• Molecular Formula: C48H29N7S
• Molecular Weight: 735.88 g/mol
• Exact Mass: 735.22
• IUPAC Name: 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccccc87)n6)cc5c34)n2)cc1
• InChI: InChI=1S/C48H29N7S/c1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)52-47(51-43)36-23-14-26-41-42(36)37-29-33(27-28-40(37)56-41)46-50-45(32-19-8-3-9-20-32)53-48(54-46)55-38-24-12-10-21-34(38)35-22-11-13-25-39(35)55/h1-29H
• InChIKey: QHNWJGAIWSRCGN-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 82.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.88
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 155050277) is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccccc87)n6)cc5c34)n2)cc1.

What is the InChIKey of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The InChIKey is QHNWJGAIWSRCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N7S/c1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)52-47(51-43)36-23-14-26-41-42(36)37-29-33(27-28-40(37)56-41)46-50-45(32-19-8-3-9-20-32)53-48(54-46)55-38-24-12-10-21-34(38)35-22-11-13-25-39(35)55/h1-29H.

What are the key properties of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 735.88 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155050277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).