2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

C46H28N4 — CID 155023263

About 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 155023263) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 155023263
• Molecular Formula: C46H28N4
• Molecular Weight: 636.76 g/mol
• Exact Mass: 636.23
• IUPAC Name: 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc2cc(-c3ccc4cc(-c5ccc6ccc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)nc6c5)ccc4n3)ccc2c1
• InChI: InChI=1S/C46H28N4/c1-2-5-35-26-38(16-7-29(35)4-1)43-24-20-39-27-36(19-23-42(39)48-43)37-15-12-32-17-21-40(49-44(32)28-37)30-8-10-31(11-9-30)41-22-18-34-14-13-33-6-3-25-47-45(33)46(34)50-41/h1-28H
• InChIKey: UHORRIBQGIHOOV-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.76
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 155023263) is 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc2cc(-c3ccc4cc(-c5ccc6ccc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)nc6c5)ccc4n3)ccc2c1.

What is the InChIKey of 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is UHORRIBQGIHOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-5-35-26-38(16-7-29(35)4-1)43-24-20-39-27-36(19-23-42(39)48-43)37-15-12-32-17-21-40(49-44(32)28-37)30-8-10-31(11-9-30)41-22-18-34-14-13-33-6-3-25-47-45(33)46(34)50-41/h1-28H.

What are the key properties of 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 636.76 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 155023263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).