2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline

C126H74N14 — CID 165008986

About 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline

2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline (PubChem CID 165008986) has the molecular formula C126H74N14 and a molecular weight of 1784.08 g/mol. Its IUPAC name is 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
• PubChem CID: 165008986
• Molecular Formula: C126H74N14
• Molecular Weight: 1784.08 g/mol
• Exact Mass: 1782.62
• IUPAC Name: 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
• SMILES: c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5ccc(-c6ccc7ccc8cccnc8c7n6)nc5c4)ccc3n1)c1ccccc12.c1ccc2cc(-c3ccc4cc(-c5ccc6ccc(-c7ccc8ccc9cccnc9c8n7)nc6c5)ccc4n3)ccc2c1.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6ccc(-c7ccc8ccc9cccnc9c8n7)nc6c5)ccc4n3)nc12
• InChI: InChI=1S/C44H26N4.C42H24N6.C40H24N4/c1-2-8-34-32(6-1)25-37(36-10-4-3-9-35(34)36)39-20-18-33-24-30(17-19-38(33)46-39)31-14-11-27-15-21-40(47-42(27)26-31)41-22-16-29-13-12-28-7-5-23-45-43(28)44(29)48-41;1-3-26-6-8-28-12-18-36(47-41(28)39(26)43-21-1)34-20-15-32-23-30(14-16-33(32)45-34)31-10-5-25-11-17-35(46-38(25)24-31)37-19-13-29-9-7-27-4-2-22-44-40(27)42(29)48-37;1-2-5-29-22-32(12-7-25(29)4-1)35-18-16-33-23-30(15-17-34(33)42-35)31-11-8-26-13-19-36(43-38(26)24-31)37-20-14-28-10-9-27-6-3-21-41-39(27)40(28)44-37/h1-26H;1-24H;1-24H
• InChIKey: JKFZUBVCVHNZAI-UHFFFAOYSA-N
• XLogP: 31.20
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.08
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline (CID 165008986) is 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline is c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5ccc(-c6ccc7ccc8cccnc8c7n6)nc5c4)ccc3n1)c1ccccc12.c1ccc2cc(-c3ccc4cc(-c5ccc6ccc(-c7ccc8ccc9cccnc9c8n7)nc6c5)ccc4n3)ccc2c1.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6ccc(-c7ccc8ccc9cccnc9c8n7)nc6c5)ccc4n3)nc12.

What is the InChIKey of 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

The InChIKey is JKFZUBVCVHNZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4.C42H24N6.C40H24N4/c1-2-8-34-32(6-1)25-37(36-10-4-3-9-35(34)36)39-20-18-33-24-30(17-19-38(33)46-39)31-14-11-27-15-21-40(47-42(27)26-31)41-22-16-29-13-12-28-7-5-23-45-43(28)44(29)48-41;1-3-26-6-8-28-12-18-36(47-41(28)39(26)43-21-1)34-20-15-32-23-30(14-16-33(32)45-34)31-10-5-25-11-17-35(46-38(25)24-31)37-19-13-29-9-7-27-4-2-22-44-40(27)42(29)48-37;1-2-5-29-22-32(12-7-25(29)4-1)35-18-16-33-23-30(15-17-34(33)42-35)31-11-8-26-13-19-36(43-38(26)24-31)37-20-14-28-10-9-27-6-3-21-41-39(27)40(28)44-37/h1-26H;1-24H;1-24H.

What are the key properties of 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline has a molecular weight of 1784.08 g/mol, XLogP of 31.20, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 165008986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).