3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

C34H20N8O — CID 145088630

About 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (PubChem CID 145088630) has the molecular formula C34H20N8O and a molecular weight of 556.59 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.

Molecular Properties

• Compound Name: 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
• PubChem CID: 145088630
• Molecular Formula: C34H20N8O
• Molecular Weight: 556.59 g/mol
• Exact Mass: 556.18
• IUPAC Name: 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
• SMILES: c1ccc(-c2cc3n4ncc(-c5ccc6oc7ccccc7c6c5)c4n4ncc(-n5cnc6ccccc65)c4n3n2)cc1
• InChI: InChI=1S/C34H20N8O/c1-2-8-21(9-3-1)27-17-32-40-33(25(18-36-40)22-14-15-31-24(16-22)23-10-4-7-13-30(23)43-31)42-34(41(32)38-27)29(19-37-42)39-20-35-26-11-5-6-12-28(26)39/h1-20H
• InChIKey: LZGSHNSCKFLAKO-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 82.86 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.59
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?

The IUPAC name of 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (CID 145088630) is 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.

What is the SMILES notation for 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?

The canonical SMILES for 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is c1ccc(-c2cc3n4ncc(-c5ccc6oc7ccccc7c6c5)c4n4ncc(-n5cnc6ccccc65)c4n3n2)cc1.

What is the InChIKey of 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?

The InChIKey is LZGSHNSCKFLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N8O/c1-2-8-21(9-3-1)27-17-32-40-33(25(18-36-40)22-14-15-31-24(16-22)23-10-4-7-13-30(23)43-31)42-34(41(32)38-27)29(19-37-42)39-20-35-26-11-5-6-12-28(26)39/h1-20H.

What are the key properties of 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?

3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene has a molecular weight of 556.59 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzimidazol-1-yl)-8-dibenzofuran-2-yl-14-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is sourced from PubChem (CID 145088630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).