4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile

C64H36N6OS — CID 155160105

About 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile

4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile (PubChem CID 155160105) has the molecular formula C64H36N6OS and a molecular weight of 937.10 g/mol. Its IUPAC name is 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile.

Molecular Properties

• Compound Name: 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
• PubChem CID: 155160105
• Molecular Formula: C64H36N6OS
• Molecular Weight: 937.10 g/mol
• Exact Mass: 936.27
• IUPAC Name: 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
• SMILES: N#Cc1cc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C64H36N6OS/c65-37-42-34-55(61-60(46-24-11-14-26-56(46)71-61)59(42)64-67-62(38-16-4-1-5-17-38)66-63(68-64)39-18-6-2-7-19-39)70-52-30-28-40(41-29-31-58-50(33-41)45-23-12-15-27-57(45)72-58)32-47(52)49-35-48-44-22-10-13-25-51(44)69(53(48)36-54(49)70)43-20-8-3-9-21-43/h1-36H
• InChIKey: UTQYCGZSBVXAII-UHFFFAOYSA-N
• XLogP: 16.87
• TPSA: 85.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.10
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?

The IUPAC name of 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile (CID 155160105) is 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile.

What is the SMILES notation for 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?

The canonical SMILES for 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile is N#Cc1cc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?

The InChIKey is UTQYCGZSBVXAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N6OS/c65-37-42-34-55(61-60(46-24-11-14-26-56(46)71-61)59(42)64-67-62(38-16-4-1-5-17-38)66-63(68-64)39-18-6-2-7-19-39)70-52-30-28-40(41-29-31-58-50(33-41)45-23-12-15-27-57(45)72-58)32-47(52)49-35-48-44-22-10-13-25-51(44)69(53(48)36-54(49)70)43-20-8-3-9-21-43/h1-36H.

What are the key properties of 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?

4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile has a molecular weight of 937.10 g/mol, XLogP of 16.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 155160105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).