2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole

C92H52N10O2S2 — CID 163661717

About 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole

2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole (PubChem CID 163661717) has the molecular formula C92H52N10O2S2 and a molecular weight of 1393.63 g/mol. Its IUPAC name is 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole
• PubChem CID: 163661717
• Molecular Formula: C92H52N10O2S2
• Molecular Weight: 1393.63 g/mol
• Exact Mass: 1392.37
• IUPAC Name: 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4oc5cc(-c6nc7cc(-c8cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11c%10sc%10ccccc%10%11)n9)c9c(c8)oc8cc(-c%10nc%11ccccc%11n%10-c%10ccccc%10)ccc89)ccc7n6-c6ccccc6)ccc5c34)n2)cc1
• InChI: InChI=1S/C92H52N10O2S2/c1-5-21-53(22-6-1)85-95-87(56-39-43-64-62-29-13-17-37-79(62)105-81(64)52-56)99-88(96-85)68-32-20-36-75-82(68)66-44-40-58(49-76(66)103-75)92-94-72-48-55(42-46-74(72)102(92)61-27-11-4-12-28-61)59-47-70(90-98-86(54-23-7-2-8-24-54)97-89(100-90)69-33-19-31-65-63-30-14-18-38-80(63)106-84(65)69)83-67-45-41-57(50-77(67)104-78(83)51-59)91-93-71-34-15-16-35-73(71)101(91)60-25-9-3-10-26-60/h1-52H
• InChIKey: IUZRLEYMRIMRFR-UHFFFAOYSA-N
• XLogP: 24.27
• TPSA: 139.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.63
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole?

The IUPAC name of 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole (CID 163661717) is 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4oc5cc(-c6nc7cc(-c8cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11c%10sc%10ccccc%10%11)n9)c9c(c8)oc8cc(-c%10nc%11ccccc%11n%10-c%10ccccc%10)ccc89)ccc7n6-c6ccccc6)ccc5c34)n2)cc1.

What is the InChIKey of 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole?

The InChIKey is IUZRLEYMRIMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H52N10O2S2/c1-5-21-53(22-6-1)85-95-87(56-39-43-64-62-29-13-17-37-79(62)105-81(64)52-56)99-88(96-85)68-32-20-36-75-82(68)66-44-40-58(49-76(66)103-75)92-94-72-48-55(42-46-74(72)102(92)61-27-11-4-12-28-61)59-47-70(90-98-86(54-23-7-2-8-24-54)97-89(100-90)69-33-19-31-65-63-30-14-18-38-80(63)106-84(65)69)83-67-45-41-57(50-77(67)104-78(83)51-59)91-93-71-34-15-16-35-73(71)101(91)60-25-9-3-10-26-60/h1-52H.

What are the key properties of 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole?

2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole has a molecular weight of 1393.63 g/mol, XLogP of 24.27, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-[1-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-3-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 163661717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).