6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline

C45H28N4O2 — CID 141179420

About 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline

6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline (PubChem CID 141179420) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline.

Molecular Properties

• Compound Name: 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline
• PubChem CID: 141179420
• Molecular Formula: C45H28N4O2
• Molecular Weight: 656.75 g/mol
• Exact Mass: 656.22
• IUPAC Name: 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline
• SMILES: Cn1ccc2cc(-c3c(-c4ccc5ncccc5c4)c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4c3oc3ccccc34)ccc21
• InChI: InChI=1S/C45H28N4O2/c1-49-22-20-27-24-30(17-19-35(27)49)40-39(29-16-18-32-26(23-29)10-8-21-46-32)43(45-47-33-12-4-5-13-34(33)48-45)42(38-25-28-9-2-6-14-36(28)50-38)41-31-11-3-7-15-37(31)51-44(40)41/h2-25H,1H3,(H,47,48)
• InChIKey: FNQCXADZIBKKKU-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 72.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.75
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline?

The IUPAC name of 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline (CID 141179420) is 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline.

What is the SMILES notation for 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline?

The canonical SMILES for 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline is Cn1ccc2cc(-c3c(-c4ccc5ncccc5c4)c(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5o4)c4c3oc3ccccc34)ccc21.

What is the InChIKey of 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline?

The InChIKey is FNQCXADZIBKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-49-22-20-27-24-30(17-19-35(27)49)40-39(29-16-18-32-26(23-29)10-8-21-46-32)43(45-47-33-12-4-5-13-34(33)48-45)42(38-25-28-9-2-6-14-36(28)50-38)41-31-11-3-7-15-37(31)51-44(40)41/h2-25H,1H3,(H,47,48).

What are the key properties of 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline?

6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline has a molecular weight of 656.75 g/mol, XLogP of 11.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-4-(1-methylindol-5-yl)dibenzofuran-3-yl]quinoline is sourced from PubChem (CID 141179420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).