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

C55H32N4OS — CID 166700141

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

5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 166700141) has the molecular formula C55H32N4OS and a molecular weight of 796.96 g/mol. Its IUPAC name is 5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
• PubChem CID: 166700141
• Molecular Formula: C55H32N4OS
• Molecular Weight: 796.96 g/mol
• Exact Mass: 796.23
• IUPAC Name: 5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5c(oc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)n3)c2)cc1
• InChI: InChI=1S/C55H32N4OS/c1-2-13-33(14-3-1)34-17-12-18-37(29-34)53-56-54(38-25-28-50-45(31-38)41-21-8-11-24-49(41)61-50)58-55(57-53)43-27-26-42-40-20-7-10-23-48(40)60-52(42)51(43)59-46-22-9-6-19-39(46)44-30-35-15-4-5-16-36(35)32-47(44)59/h1-32H
• InChIKey: UAVFUOMVHMYIID-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.96
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 166700141) is 5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5c(oc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)n3)c2)cc1.

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

The InChIKey is UAVFUOMVHMYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4OS/c1-2-13-33(14-3-1)34-17-12-18-37(29-34)53-56-54(38-25-28-50-45(31-38)41-21-8-11-24-49(41)61-50)58-55(57-53)43-27-26-42-40-20-7-10-23-48(40)60-52(42)51(43)59-46-22-9-6-19-39(46)44-30-35-15-4-5-16-36(35)32-47(44)59/h1-32H.

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

5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 796.96 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 166700141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).