2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

C58H41N3O2 — CID 171734333

About 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (PubChem CID 171734333) has the molecular formula C58H41N3O2 and a molecular weight of 811.99 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

Molecular Properties

• Compound Name: 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
• PubChem CID: 171734333
• Molecular Formula: C58H41N3O2
• Molecular Weight: 811.99 g/mol
• Exact Mass: 811.32
• IUPAC Name: 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
• SMILES: Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4oc5ccccc5c4c3)cccc21
• InChI: InChI=1S/C58H41N3O2/c1-35-15-11-16-36(2)56(35)61-49-26-14-25-44(55(49)60-58(61)48-32-31-40-30-29-39-21-12-27-50(62)52(39)54(40)59-48)41-33-46-45-22-9-10-28-51(45)63-57(46)47(34-41)53-42(37-17-5-3-6-18-37)23-13-24-43(53)38-19-7-4-8-20-38/h3-28,31-34,62H,29-30H2,1-2H3
• InChIKey: SZQCLTPNNYYFFJ-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.99
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

The IUPAC name of 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (CID 171734333) is 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

The canonical SMILES for 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4oc5ccccc5c4c3)cccc21.

What is the InChIKey of 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

The InChIKey is SZQCLTPNNYYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O2/c1-35-15-11-16-36(2)56(35)61-49-26-14-25-44(55(49)60-58(61)48-32-31-40-30-29-39-21-12-27-50(62)52(39)54(40)59-48)41-33-46-45-22-9-10-28-51(45)63-57(46)47(34-41)53-42(37-17-5-3-6-18-37)23-13-24-43(53)38-19-7-4-8-20-38/h3-28,31-34,62H,29-30H2,1-2H3.

What are the key properties of 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol has a molecular weight of 811.99 g/mol, XLogP of 14.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is sourced from PubChem (CID 171734333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).