triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane

C64H43N7S — CID 170367205

About triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane

triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane (PubChem CID 170367205) has the molecular formula C64H43N7S and a molecular weight of 942.16 g/mol. Its IUPAC name is triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane.

Molecular Properties

• Compound Name: triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
• PubChem CID: 170367205
• Molecular Formula: C64H43N7S
• Molecular Weight: 942.16 g/mol
• Exact Mass: 941.33
• IUPAC Name: triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
• SMILES: c1ccc(-c2nc(-c3cccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4n4c5ccccc5nc34)n2)cc1
• InChI: InChI=1S/C64H43N7S/c1-6-23-44(24-7-1)61-66-62(45-25-20-34-50(43-45)72(47-28-10-3-11-29-47,48-30-12-4-13-31-48)49-32-14-5-15-33-49)68-63(67-61)71-58-42-22-37-52(60(58)70-56-40-19-17-38-54(56)65-64(70)71)51-36-21-41-57-59(51)53-35-16-18-39-55(53)69(57)46-26-8-2-9-27-46/h1-43H
• InChIKey: GSGQBDFPCNXCDI-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 65.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.16
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?

The IUPAC name of triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane (CID 170367205) is triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane.

What is the SMILES notation for triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?

The canonical SMILES for triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane is c1ccc(-c2nc(-c3cccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4n4c5ccccc5nc34)n2)cc1.

What is the InChIKey of triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?

The InChIKey is GSGQBDFPCNXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N7S/c1-6-23-44(24-7-1)61-66-62(45-25-20-34-50(43-45)72(47-28-10-3-11-29-47,48-30-12-4-13-31-48)49-32-14-5-15-33-49)68-63(67-61)71-58-42-22-37-52(60(58)70-56-40-19-17-38-54(56)65-64(70)71)51-36-21-41-57-59(51)53-35-16-18-39-55(53)69(57)46-26-8-2-9-27-46/h1-43H.

What are the key properties of triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?

triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane has a molecular weight of 942.16 g/mol, XLogP of 16.06, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane is sourced from PubChem (CID 170367205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).