2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole

C67H41N5 — CID 168811192

About 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole

2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 168811192) has the molecular formula C67H41N5 and a molecular weight of 916.10 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 168811192
• Molecular Formula: C67H41N5
• Molecular Weight: 916.10 g/mol
• Exact Mass: 915.34
• IUPAC Name: 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4n4c5cc(-n6c7ccccc7c7ccccc76)ccc5nc34)c1-c1ccccc1-2
• InChI: InChI=1S/C67H41N5/c1-2-20-44-43(19-1)45-21-3-4-23-47(45)54-38-39-55(52-28-11-16-34-61(52)70-59-32-14-9-26-50(59)51-27-10-15-33-60(51)70)66(65(54)53-29-6-5-22-46(44)53)72-63-36-18-17-35-62(63)71-64-41-42(37-40-56(64)68-67(71)72)69-57-30-12-7-24-48(57)49-25-8-13-31-58(49)69/h1-41H/b45-43-,46-44-,54-47-,65-53+
• InChIKey: BKCSQQKZNZEPHD-VPJGVHIRSA-N
• XLogP: 17.27
• TPSA: 32.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.10
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole (CID 168811192) is 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4n4c5cc(-n6c7ccccc7c7ccccc76)ccc5nc34)c1-c1ccccc1-2.

What is the InChIKey of 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole?

The InChIKey is BKCSQQKZNZEPHD-VPJGVHIRSA-N. The full InChI is InChI=1S/C67H41N5/c1-2-20-44-43(19-1)45-21-3-4-23-47(45)54-38-39-55(52-28-11-16-34-61(52)70-59-32-14-9-26-50(59)51-27-10-15-33-60(51)70)66(65(54)53-29-6-5-22-46(44)53)72-63-36-18-17-35-62(63)71-64-41-42(37-40-56(64)68-67(71)72)69-57-30-12-7-24-48(57)49-25-8-13-31-58(49)69/h1-41H/b45-43-,46-44-,54-47-,65-53+.

What are the key properties of 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole?

2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 916.10 g/mol, XLogP of 17.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 168811192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).