5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole

C64H38N8 — CID 168811214

About 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole

5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 168811214) has the molecular formula C64H38N8 and a molecular weight of 919.06 g/mol. Its IUPAC name is 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 168811214
• Molecular Formula: C64H38N8
• Molecular Weight: 919.06 g/mol
• Exact Mass: 918.32
• IUPAC Name: 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc2c(c1)-c1ccccc1-c1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5n5c6ccccc6nc45)n3)c(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2
• InChI: InChI=1S/C64H38N8/c1-2-20-40-39(19-1)41-21-3-5-23-43(41)49-37-51(60(38-50(49)44-24-6-4-22-42(40)44)69-53-30-12-7-25-45(53)46-26-8-13-31-54(46)69)61-66-62(70-55-32-14-9-27-47(55)48-28-10-15-33-56(48)70)68-63(67-61)72-59-36-18-17-35-58(59)71-57-34-16-11-29-52(57)65-64(71)72/h1-38H/b41-39-,42-40-,49-43-,50-44-
• InChIKey: FYBXXGMPDDIKNJ-YRXIIUOMSA-N
• XLogP: 15.46
• TPSA: 70.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.06
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 168811214) is 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)-c1ccccc1-c1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5n5c6ccccc6nc45)n3)c(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2.

What is the InChIKey of 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?

The InChIKey is FYBXXGMPDDIKNJ-YRXIIUOMSA-N. The full InChI is InChI=1S/C64H38N8/c1-2-20-40-39(19-1)41-21-3-5-23-43(41)49-37-51(60(38-50(49)44-24-6-4-22-42(40)44)69-53-30-12-7-25-45(53)46-26-8-13-31-54(46)69)61-66-62(70-55-32-14-9-27-47(55)48-28-10-15-33-56(48)70)68-63(67-61)72-59-36-18-17-35-58(59)71-57-34-16-11-29-52(57)65-64(71)72/h1-38H/b41-39-,42-40-,49-43-,50-44-.

What are the key properties of 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole?

5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 919.06 g/mol, XLogP of 15.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 168811214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).