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

C48H32N4S — CID 163668654

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

1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 163668654) has the molecular formula C48H32N4S and a molecular weight of 696.88 g/mol. Its IUPAC name is 1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 163668654
• Molecular Formula: C48H32N4S
• Molecular Weight: 696.88 g/mol
• Exact Mass: 696.23
• IUPAC Name: 1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6cccc7sc8ccccc8c67)c54)n3)cc21
• InChI: InChI=1S/C48H32N4S/c1-48(2)38-22-9-6-16-31(38)32-27-26-30(28-39(32)48)46-49-45(29-14-4-3-5-15-29)50-47(51-46)52-40-23-10-7-17-33(40)35-20-12-21-36(44(35)52)34-19-13-25-42-43(34)37-18-8-11-24-41(37)53-42/h3-28H,1-2H3
• InChIKey: JAPVNGWRJVKYBV-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.88
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 163668654) is 1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6cccc7sc8ccccc8c67)c54)n3)cc21.

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

The InChIKey is JAPVNGWRJVKYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4S/c1-48(2)38-22-9-6-16-31(38)32-27-26-30(28-39(32)48)46-49-45(29-14-4-3-5-15-29)50-47(51-46)52-40-23-10-7-17-33(40)35-20-12-21-36(44(35)52)34-19-13-25-42-43(34)37-18-8-11-24-41(37)53-42/h3-28H,1-2H3.

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

1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 696.88 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 163668654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).