6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole

C53H32N4S — CID 169278825

About 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole

6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole (PubChem CID 169278825) has the molecular formula C53H32N4S and a molecular weight of 756.93 g/mol. Its IUPAC name is 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
• PubChem CID: 169278825
• Molecular Formula: C53H32N4S
• Molecular Weight: 756.93 g/mol
• Exact Mass: 756.23
• IUPAC Name: 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c4cc(-c5nc(-c6ccc7sc8ccccc8c7c6)nc(-c6cccc7ccc8ccccc8c67)n5)ccc4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C53H32N4S/c1-3-12-33(13-4-1)36-24-27-41-44-30-37(25-28-46(44)57(47(41)32-36)39-16-5-2-6-17-39)51-54-52(38-26-29-49-45(31-38)42-19-9-10-21-48(42)58-49)56-53(55-51)43-20-11-15-35-23-22-34-14-7-8-18-40(34)50(35)43/h1-32H
• InChIKey: VYEOYXAUZRPNJN-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.93
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?

The IUPAC name of 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole (CID 169278825) is 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole.

What is the SMILES notation for 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?

The canonical SMILES for 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole is c1ccc(-c2ccc3c4cc(-c5nc(-c6ccc7sc8ccccc8c7c6)nc(-c6cccc7ccc8ccccc8c67)n5)ccc4n(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?

The InChIKey is VYEOYXAUZRPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S/c1-3-12-33(13-4-1)36-24-27-41-44-30-37(25-28-46(44)57(47(41)32-36)39-16-5-2-6-17-39)51-54-52(38-26-29-49-45(31-38)42-19-9-10-21-48(42)58-49)56-53(55-51)43-20-11-15-35-23-22-34-14-7-8-18-40(34)50(35)43/h1-32H.

What are the key properties of 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?

6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole has a molecular weight of 756.93 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole is sourced from PubChem (CID 169278825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).