6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline

C59H39N5O — CID 129087736

About 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline

6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 129087736) has the molecular formula C59H39N5O and a molecular weight of 834.00 g/mol. Its IUPAC name is 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

• Compound Name: 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
• PubChem CID: 129087736
• Molecular Formula: C59H39N5O
• Molecular Weight: 834.00 g/mol
• Exact Mass: 833.32
• IUPAC Name: 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
• SMILES: C1=Cc2nc(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc6ccccc6c6c5oc5ccccc56)c4)cc3)n(-c3ccccc3)c2CC1
• InChI: InChI=1S/C59H39N5O/c1-3-15-45(16-4-1)63-52-24-12-10-22-50(52)61-58(63)40-31-27-38(28-32-40)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-41(34-30-39)59-62-51-23-11-13-25-53(51)64(59)46-17-5-2-6-18-46/h1-12,14-24,26-37H,13,25H2
• InChIKey: YIIYRWKNFZNNLQ-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.00
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?

The IUPAC name of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 129087736) is 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.

What is the SMILES notation for 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?

The canonical SMILES for 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is C1=Cc2nc(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc6ccccc6c6c5oc5ccccc56)c4)cc3)n(-c3ccccc3)c2CC1.

What is the InChIKey of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?

The InChIKey is YIIYRWKNFZNNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5O/c1-3-15-45(16-4-1)63-52-24-12-10-22-50(52)61-58(63)40-31-27-38(28-32-40)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-41(34-30-39)59-62-51-23-11-13-25-53(51)64(59)46-17-5-2-6-18-46/h1-12,14-24,26-37H,13,25H2.

What are the key properties of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?

6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 834.00 g/mol, XLogP of 14.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 129087736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).