2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline

C41H25N3 — CID 155022869

About 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline

2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline (PubChem CID 155022869) has the molecular formula C41H25N3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
• PubChem CID: 155022869
• Molecular Formula: C41H25N3
• Molecular Weight: 559.67 g/mol
• Exact Mass: 559.20
• IUPAC Name: 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
• SMILES: c1ccc2cc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc9ccccc9c8n7)nc6c5)cc4n3)ccc2c1
• InChI: InChI=1S/C41H25N3/c1-2-7-31-23-34(16-9-26(31)5-1)36-20-17-28-11-14-32(24-39(28)42-36)33-15-12-29-18-21-37(43-40(29)25-33)38-22-19-30-13-10-27-6-3-4-8-35(27)41(30)44-38/h1-25H
• InChIKey: ZCLVOBQNAYEXNC-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	10.64
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-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

The IUPAC name of 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline (CID 155022869) is 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline.

What is the SMILES notation for 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

The canonical SMILES for 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline is c1ccc2cc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc9ccccc9c8n7)nc6c5)cc4n3)ccc2c1.

What is the InChIKey of 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

The InChIKey is ZCLVOBQNAYEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3/c1-2-7-31-23-34(16-9-26(31)5-1)36-20-17-28-11-14-32(24-39(28)42-36)33-15-12-29-18-21-37(43-40(29)25-33)38-22-19-30-13-10-27-6-3-4-8-35(27)41(30)44-38/h1-25H.

What are the key properties of 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline?

2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline has a molecular weight of 559.67 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline is sourced from PubChem (CID 155022869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).