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

C63H38N4S2 — CID 154602013

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

3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 154602013) has the molecular formula C63H38N4S2 and a molecular weight of 915.16 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
• PubChem CID: 154602013
• Molecular Formula: C63H38N4S2
• Molecular Weight: 915.16 g/mol
• Exact Mass: 914.25
• IUPAC Name: 3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-c9cccc%10c9sc9ccccc9%10)cc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C63H38N4S2/c1-4-14-41(15-5-1)61-64-62(42-16-6-2-7-17-42)66-63(65-61)50-23-13-25-58-59(50)53-38-45(32-35-57(53)68-58)44-31-34-55-52(37-44)51-36-43(30-33-54(51)67(55)46-18-8-3-9-19-46)39-26-28-40(29-27-39)47-21-12-22-49-48-20-10-11-24-56(48)69-60(47)49/h1-38H
• InChIKey: SKEQYQNTKNGMHY-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 43.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.16
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (CID 154602013) is 3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-c9cccc%10c9sc9ccccc9%10)cc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1.

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

The InChIKey is SKEQYQNTKNGMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4S2/c1-4-14-41(15-5-1)61-64-62(42-16-6-2-7-17-42)66-63(65-61)50-23-13-25-58-59(50)53-38-45(32-35-57(53)68-58)44-31-34-55-52(37-44)51-36-43(30-33-54(51)67(55)46-18-8-3-9-19-46)39-26-28-40(29-27-39)47-21-12-22-49-48-20-10-11-24-56(48)69-60(47)49/h1-38H.

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

3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 915.16 g/mol, XLogP of 17.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 154602013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).