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

C55H34N4S — CID 172500329

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

9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole (PubChem CID 172500329) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
• PubChem CID: 172500329
• Molecular Formula: C55H34N4S
• Molecular Weight: 782.97 g/mol
• Exact Mass: 782.25
• IUPAC Name: 9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C55H34N4S/c1-2-13-37(14-3-1)53-56-54(38-25-22-36(23-26-38)42-28-30-46-45-18-8-11-21-51(45)60-52(46)34-42)58-55(57-53)47-31-29-41(40-27-24-35-12-4-5-15-39(35)32-40)33-50(47)59-48-19-9-6-16-43(48)44-17-7-10-20-49(44)59/h1-34H
• InChIKey: QWUJZEKDMFRDPT-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.97
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole (CID 172500329) is 9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole.

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

The canonical SMILES for 9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3-n3c4ccccc4c4ccccc43)n2)cc1.

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

The InChIKey is QWUJZEKDMFRDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-2-13-37(14-3-1)53-56-54(38-25-22-36(23-26-38)42-28-30-46-45-18-8-11-21-51(45)60-52(46)34-42)58-55(57-53)47-31-29-41(40-27-24-35-12-4-5-15-39(35)32-40)33-50(47)59-48-19-9-6-16-43(48)44-17-7-10-20-49(44)59/h1-34H.

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

9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole has a molecular weight of 782.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole is sourced from PubChem (CID 172500329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).