2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline

C74H46N6 — CID 165007474

About 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline

2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline (PubChem CID 165007474) has the molecular formula C74H46N6 and a molecular weight of 1019.22 g/mol. Its IUPAC name is 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline
• PubChem CID: 165007474
• Molecular Formula: C74H46N6
• Molecular Weight: 1019.22 g/mol
• Exact Mass: 1018.38
• IUPAC Name: 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3c(-c4ccc(-c5cccc6cccnc56)cc4)cc(-c4ccc5ccccc5c4)nc3c2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc(-c5ccc6ccc7ccncc7c6n5)cc4c3)nc12
• InChI: InChI=1S/C40H26N2.C34H20N4/c1-2-8-27(9-3-1)33-21-22-36-37(26-38(42-39(36)25-33)34-20-15-28-10-4-5-11-32(28)24-34)30-18-16-29(17-19-30)35-14-6-12-31-13-7-23-41-40(31)35;1-2-23-7-8-25-12-14-31(38-34(25)33(23)36-16-1)27-10-4-21-3-9-26(18-28(21)19-27)30-13-11-24-6-5-22-15-17-35-20-29(22)32(24)37-30/h1-26H;1-20H
• InChIKey: JEKUIEKYTPYXKQ-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.22
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline (CID 165007474) is 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline is c1ccc(-c2ccc3c(-c4ccc(-c5cccc6cccnc56)cc4)cc(-c4ccc5ccccc5c4)nc3c2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc4ccc(-c5ccc6ccc7ccncc7c6n5)cc4c3)nc12.

What is the InChIKey of 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline?

The InChIKey is JEKUIEKYTPYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2.C34H20N4/c1-2-8-27(9-3-1)33-21-22-36-37(26-38(42-39(36)25-33)34-20-15-28-10-4-5-11-32(28)24-34)30-18-16-29(17-19-30)35-14-6-12-31-13-7-23-41-40(31)35;1-2-23-7-8-25-12-14-31(38-34(25)33(23)36-16-1)27-10-4-21-3-9-26(18-28(21)19-27)30-13-11-24-6-5-22-15-17-35-20-29(22)32(24)37-30/h1-26H;1-20H.

What are the key properties of 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline?

2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline has a molecular weight of 1019.22 g/mol, XLogP of 18.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 165007474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).