2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole

C67H41N5 — CID 168811268

About 2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole

2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 168811268) has the molecular formula C67H41N5 and a molecular weight of 916.10 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 168811268
• Molecular Formula: C67H41N5
• Molecular Weight: 916.10 g/mol
• Exact Mass: 915.34
• IUPAC Name: 2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4n4c5ccccc5nc34)c(-n3c4ccccc4c4ccccc43)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(66(65(54)53-29-6-5-22-46(44)53)70-59-33-15-9-26-50(59)51-27-10-16-34-60(51)70)52-28-11-17-35-61(52)71-63-40-37-42(41-64(63)72-62-36-18-12-30-56(62)68-67(71)72)69-57-31-13-7-24-48(57)49-25-8-14-32-58(49)69/h1-41H/b45-43-,46-44-,54-47-,65-53+
• InChIKey: WTWNOYQSJBHOJK-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-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole (CID 168811268) is 2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole.

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

The canonical SMILES for 2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4n4c5ccccc5nc34)c(-n3c4ccccc4c4ccccc43)c1-c1ccccc1-2.

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

The InChIKey is WTWNOYQSJBHOJK-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(66(65(54)53-29-6-5-22-46(44)53)70-59-33-15-9-26-50(59)51-27-10-16-34-60(51)70)52-28-11-17-35-61(52)71-63-40-37-42(41-64(63)72-62-36-18-12-30-56(62)68-67(71)72)69-57-31-13-7-24-48(57)49-25-8-14-32-58(49)69/h1-41H/b45-43-,46-44-,54-47-,65-53+.

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

2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]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-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 168811268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).