5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline

C120H72N12 — CID 165086971

About 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline

5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline (PubChem CID 165086971) has the molecular formula C120H72N12 and a molecular weight of 1681.98 g/mol. Its IUPAC name is 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline
• PubChem CID: 165086971
• Molecular Formula: C120H72N12
• Molecular Weight: 1681.98 g/mol
• Exact Mass: 1680.60
• IUPAC Name: 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6cc7cccnc7c7ncccc67)nc5c4)ccc3n2)cc1.c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5ccc(-c6cc7cccnc7c7ncccc67)nc5c4)ccc3n1)c1ccccc12.c1ccc2cc(-c3ccc4cc(-c5ccc6ccc(-c7cc8cccnc8c8ncccc78)nc6c5)ccc4n3)ccc2c1
• InChI: InChI=1S/C44H26N4.C40H24N4.C36H22N4/c1-2-9-33-30(7-1)24-37(35-11-4-3-10-34(33)35)40-20-17-31-23-28(16-18-39(31)47-40)29-14-13-27-15-19-41(48-42(27)26-29)38-25-32-8-5-21-45-43(32)44-36(38)12-6-22-46-44;1-2-6-27-21-30(12-9-25(27)5-1)36-17-15-31-22-28(14-16-35(31)43-36)29-11-10-26-13-18-37(44-38(26)24-29)34-23-32-7-3-19-41-39(32)40-33(34)8-4-20-42-40;1-2-6-23(7-3-1)31-16-14-27-20-25(13-15-32(27)39-31)26-11-10-24-12-17-33(40-34(24)22-26)30-21-28-8-4-18-37-35(28)36-29(30)9-5-19-38-36/h1-26H;1-24H;1-22H
• InChIKey: WBHISYQTGDEWCH-UHFFFAOYSA-N
• XLogP: 30.10
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1681.98
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline?

The IUPAC name of 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline (CID 165086971) is 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline?

The canonical SMILES for 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline is c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6cc7cccnc7c7ncccc67)nc5c4)ccc3n2)cc1.c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5ccc(-c6cc7cccnc7c7ncccc67)nc5c4)ccc3n1)c1ccccc12.c1ccc2cc(-c3ccc4cc(-c5ccc6ccc(-c7cc8cccnc8c8ncccc78)nc6c5)ccc4n3)ccc2c1.

What is the InChIKey of 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline?

The InChIKey is WBHISYQTGDEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4.C40H24N4.C36H22N4/c1-2-9-33-30(7-1)24-37(35-11-4-3-10-34(33)35)40-20-17-31-23-28(16-18-39(31)47-40)29-14-13-27-15-19-41(48-42(27)26-29)38-25-32-8-5-21-45-43(32)44-36(38)12-6-22-46-44;1-2-6-27-21-30(12-9-25(27)5-1)36-17-15-31-22-28(14-16-35(31)43-36)29-11-10-26-13-18-37(44-38(26)24-29)34-23-32-7-3-19-41-39(32)40-33(34)8-4-20-42-40;1-2-6-23(7-3-1)31-16-14-27-20-25(13-15-32(27)39-31)26-11-10-24-12-17-33(40-34(24)22-26)30-21-28-8-4-18-37-35(28)36-29(30)9-5-19-38-36/h1-26H;1-24H;1-22H.

What are the key properties of 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline?

5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline has a molecular weight of 1681.98 g/mol, XLogP of 30.10, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 165086971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).