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

C57H35N5S — CID 156548784

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

9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 156548784) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
• PubChem CID: 156548784
• Molecular Formula: C57H35N5S
• Molecular Weight: 822.01 g/mol
• Exact Mass: 821.26
• IUPAC Name: 9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4c(-n6c7ccccc7c7ccccc76)cccc45)n3)c2)cc1
• InChI: InChI=1S/C57H35N5S/c1-3-17-36(18-4-1)38-21-15-22-39(33-38)56-58-55(37-19-5-2-6-20-37)59-57(60-56)47-35-40(61-48-28-11-7-23-41(48)42-24-8-12-29-49(42)61)34-46-45-27-16-32-52(54(45)63-53(46)47)62-50-30-13-9-25-43(50)44-26-10-14-31-51(44)62/h1-35H
• InChIKey: AKPBPQJIRMOJDO-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.01
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole (CID 156548784) is 9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole.

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

The canonical SMILES for 9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4c(-n6c7ccccc7c7ccccc76)cccc45)n3)c2)cc1.

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

The InChIKey is AKPBPQJIRMOJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-3-17-36(18-4-1)38-21-15-22-39(33-38)56-58-55(37-19-5-2-6-20-37)59-57(60-56)47-35-40(61-48-28-11-7-23-41(48)42-24-8-12-29-49(42)61)34-46-45-27-16-32-52(54(45)63-53(46)47)62-50-30-13-9-25-43(50)44-26-10-14-31-51(44)62/h1-35H.

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

9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 156548784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).