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

C45H27N5 — CID 164780676

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

2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 164780676) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
• PubChem CID: 164780676
• Molecular Formula: C45H27N5
• Molecular Weight: 637.75 g/mol
• Exact Mass: 637.23
• IUPAC Name: 2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
• SMILES: c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccncc8)nc7c6)cc5n4)c4ccccc34)nc12
• InChI: InChI=1S/C45H27N5/c1-2-6-36-35(5-1)37(16-17-38(36)41-20-15-32-10-9-31-4-3-23-47-44(31)45(32)50-41)40-19-14-29-8-12-34(27-43(29)49-40)33-11-7-28-13-18-39(48-42(28)26-33)30-21-24-46-25-22-30/h1-27H
• InChIKey: GIZMCBDSGLDFDW-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.75
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline (CID 164780676) is 2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline.

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

The canonical SMILES for 2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccncc8)nc7c6)cc5n4)c4ccccc34)nc12.

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

The InChIKey is GIZMCBDSGLDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c1-2-6-36-35(5-1)37(16-17-38(36)41-20-15-32-10-9-31-4-3-23-47-44(31)45(32)50-41)40-19-14-29-8-12-34(27-43(29)49-40)33-11-7-28-13-18-39(48-42(28)26-33)30-21-24-46-25-22-30/h1-27H.

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

2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 637.75 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 164780676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).