2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline

C60H39N3 — CID 70958787

About 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline

2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline (PubChem CID 70958787) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
• PubChem CID: 70958787
• Molecular Formula: C60H39N3
• Molecular Weight: 801.99 g/mol
• Exact Mass: 801.31
• IUPAC Name: 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
• SMILES: c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-c4cc(-c5cccc6ccccc56)nc5c4cc(-c4cccc6ccccc46)c4ccccc45)cc3)c2-c2ccccc2)cc1
• InChI: InChI=1S/C60H39N3/c1-4-20-43(21-5-1)57-59(44-22-6-2-7-23-44)63(60(62-57)45-24-8-3-9-25-45)46-36-34-42(35-37-46)53-39-56(51-33-17-27-41-19-11-13-29-48(41)51)61-58-52-31-15-14-30-50(52)54(38-55(53)58)49-32-16-26-40-18-10-12-28-47(40)49/h1-39H
• InChIKey: VEXWRNYFTNCLSO-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.99
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

The IUPAC name of 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline (CID 70958787) is 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline.

What is the SMILES notation for 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

The canonical SMILES for 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline is c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-c4cc(-c5cccc6ccccc56)nc5c4cc(-c4cccc6ccccc46)c4ccccc45)cc3)c2-c2ccccc2)cc1.

What is the InChIKey of 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

The InChIKey is VEXWRNYFTNCLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-4-20-43(21-5-1)57-59(44-22-6-2-7-23-44)63(60(62-57)45-24-8-3-9-25-45)46-36-34-42(35-37-46)53-39-56(51-33-17-27-41-19-11-13-29-48(41)51)61-58-52-31-15-14-30-50(52)54(38-55(53)58)49-32-16-26-40-18-10-12-28-47(40)49/h1-39H.

What are the key properties of 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline has a molecular weight of 801.99 g/mol, XLogP of 15.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 70958787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).