2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile

C90H53BrF2IN13 — CID 158246422

About 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile (PubChem CID 158246422) has the molecular formula C90H53BrF2IN13 and a molecular weight of 1561.31 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile.

Molecular Properties

• Compound Name: 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile
• PubChem CID: 158246422
• Molecular Formula: C90H53BrF2IN13
• Molecular Weight: 1561.31 g/mol
• Exact Mass: 1559.27
• IUPAC Name: 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile
• SMILES: N#Cc1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12.N#Cc1c(I)cccc1-n1c2ccccc2n2c3ccccc3nc12.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1F.N#Cc1cccc(Br)c1F.c1ccc2c(c1)[nH]c1ccccc12
• InChI: InChI=1S/C32H19N5.C20H11IN4.C19H11FN2.C12H9N.C7H3BrFN/c33-20-23-27(35-25-13-4-1-10-21(25)22-11-2-5-14-26(22)35)18-9-19-28(23)36-30-16-7-8-17-31(30)37-29-15-6-3-12-24(29)34-32(36)37;21-14-6-5-11-16(13(14)12-22)24-18-9-3-4-10-19(18)25-17-8-2-1-7-15(17)23-20(24)25;20-19-13(12-21)6-5-11-18(19)22-16-9-3-1-7-14(16)15-8-2-4-10-17(15)22;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8-6-3-1-2-5(4-10)7(6)9/h1-19H;1-11H;1-11H;1-8,13H;1-3H
• InChIKey: GGDZVVOCTYJPOU-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 165.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.31
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile?

The IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile (CID 158246422) is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile.

What is the SMILES notation for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile?

The canonical SMILES for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12.N#Cc1c(I)cccc1-n1c2ccccc2n2c3ccccc3nc12.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1F.N#Cc1cccc(Br)c1F.c1ccc2c(c1)[nH]c1ccccc12.

What is the InChIKey of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile?

The InChIKey is GGDZVVOCTYJPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N5.C20H11IN4.C19H11FN2.C12H9N.C7H3BrFN/c33-20-23-27(35-25-13-4-1-10-21(25)22-11-2-5-14-26(22)35)18-9-19-28(23)36-30-16-7-8-17-31(30)37-29-15-6-3-12-24(29)34-32(36)37;21-14-6-5-11-16(13(14)12-22)24-18-9-3-4-10-19(18)25-17-8-2-1-7-15(17)23-20(24)25;20-19-13(12-21)6-5-11-18(19)22-16-9-3-1-7-14(16)15-8-2-4-10-17(15)22;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8-6-3-1-2-5(4-10)7(6)9/h1-19H;1-11H;1-11H;1-8,13H;1-3H.

What are the key properties of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile?

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile has a molecular weight of 1561.31 g/mol, XLogP of 22.88, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;3-bromo-2-fluorobenzonitrile;9H-carbazole;3-carbazol-9-yl-2-fluorobenzonitrile is sourced from PubChem (CID 158246422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).