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

C81H48N4S2 — CID 145097430

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

2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 145097430) has the molecular formula C81H48N4S2 and a molecular weight of 1141.44 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 145097430
• Molecular Formula: C81H48N4S2
• Molecular Weight: 1141.44 g/mol
• Exact Mass: 1140.33
• IUPAC Name: 2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5sc6c(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cccc6c5c4)c3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)n2)cc1
• InChI: InChI=1S/C81H48N4S2/c1-2-17-49(18-3-1)79-82-80(84-81(83-79)85-73-35-10-8-29-66(73)67-41-38-55(48-74(67)85)51-20-13-23-57(44-51)59-31-15-33-69-68-30-9-11-36-75(68)86-77(59)69)58-24-14-21-52(45-58)54-39-42-76-72(47-54)70-34-16-32-60(78(70)87-76)56-22-12-19-50(43-56)53-37-40-65-63-27-5-4-25-61(63)62-26-6-7-28-64(62)71(65)46-53/h1-48H
• InChIKey: MWLKPBQRFVOUOF-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 43.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.44
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 145097430) is 2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccc5sc6c(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cccc6c5c4)c3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)n2)cc1.

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

The InChIKey is MWLKPBQRFVOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H48N4S2/c1-2-17-49(18-3-1)79-82-80(84-81(83-79)85-73-35-10-8-29-66(73)67-41-38-55(48-74(67)85)51-20-13-23-57(44-51)59-31-15-33-69-68-30-9-11-36-75(68)86-77(59)69)58-24-14-21-52(45-58)54-39-42-76-72(47-54)70-34-16-32-60(78(70)87-76)56-22-12-19-50(43-56)53-37-40-65-63-27-5-4-25-61(63)62-26-6-7-28-64(62)71(65)46-53/h1-48H.

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

2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1141.44 g/mol, XLogP of 22.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 145097430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).