5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole

C53H32N4S — CID 170412246

About 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole

5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole (PubChem CID 170412246) has the molecular formula C53H32N4S and a molecular weight of 756.93 g/mol. Its IUPAC name is 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
• PubChem CID: 170412246
• Molecular Formula: C53H32N4S
• Molecular Weight: 756.93 g/mol
• Exact Mass: 756.23
• IUPAC Name: 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4c(-n6c7ccccc7c7cc8ccccc8cc76)cccc45)n3)c2)cc1
• InChI: InChI=1S/C53H32N4S/c1-2-13-33(14-3-1)36-19-10-20-39(29-36)51-54-52(40-28-27-34-15-4-5-16-35(34)30-40)56-53(55-51)44-24-11-22-42-43-23-12-26-47(50(43)58-49(42)44)57-46-25-9-8-21-41(46)45-31-37-17-6-7-18-38(37)32-48(45)57/h1-32H
• InChIKey: SFRKTQOLYOMHSL-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

Frequently Asked Questions

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

The IUPAC name of 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole (CID 170412246) is 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4c(-n6c7ccccc7c7cc8ccccc8cc76)cccc45)n3)c2)cc1.

What is the InChIKey of 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole?

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

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

5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole 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 5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole is sourced from PubChem (CID 170412246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).