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

C86H50N10 — CID 165036235

About 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-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 165036235) has the molecular formula C86H50N10 and a molecular weight of 1223.42 g/mol. Its IUPAC name is 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-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: 165036235
• Molecular Formula: C86H50N10
• Molecular Weight: 1223.42 g/mol
• Exact Mass: 1222.42
• IUPAC Name: 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.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6ccc(-c7ccc8ccc9cccnc9c8n7)nc6c5)ccc4n3)nc12
• InChI: InChI=1S/C44H26N4.C42H24N6/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/h1-26H;1-24H
• InChIKey: NKNFZHKJIWUVQJ-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.42
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-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-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 165036235) is 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-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-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.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6ccc(-c7ccc8ccc9cccnc9c8n7)nc6c5)ccc4n3)nc12.

What is the InChIKey of 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 NKNFZHKJIWUVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4.C42H24N6/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/h1-26H;1-24H.

What are the key properties of 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-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 1223.42 g/mol, XLogP of 21.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 165036235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).