2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline

C94H58N12 — CID 164962831

About 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline

2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline (PubChem CID 164962831) has the molecular formula C94H58N12 and a molecular weight of 1355.58 g/mol. Its IUPAC name is 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline.

Molecular Properties

• Compound Name: 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline
• PubChem CID: 164962831
• Molecular Formula: C94H58N12
• Molecular Weight: 1355.58 g/mol
• Exact Mass: 1354.49
• IUPAC Name: 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)nc6c5)cc4n3)n2)cc1.c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6nc(-c7cccnc7)cc(-c7cccnc7)n6)nc5c4)cc3n2)cc1
• InChI: InChI=1S/C56H34N6.C38H24N6/c1-3-8-35(9-4-1)52-34-53(36-10-5-2-6-11-36)62-56(61-52)49-28-24-38-14-18-44(33-51(38)59-49)43-17-13-37-23-26-47(58-50(37)32-43)45-21-19-42-31-46(22-20-41(42)30-45)48-27-25-40-16-15-39-12-7-29-57-54(39)55(40)60-48;1-2-6-25(7-3-1)32-16-14-26-10-12-28(20-34(26)41-32)29-13-11-27-15-17-33(42-35(27)21-29)38-43-36(30-8-4-18-39-23-30)22-37(44-38)31-9-5-19-40-24-31/h1-34H;1-24H
• InChIKey: CBPWMVXWMHBFCP-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1355.58
LogP ≤ 5	22.52
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 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline?

The IUPAC name of 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline (CID 164962831) is 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline.

What is the SMILES notation for 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline?

The canonical SMILES for 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)nc6c5)cc4n3)n2)cc1.c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6nc(-c7cccnc7)cc(-c7cccnc7)n6)nc5c4)cc3n2)cc1.

What is the InChIKey of 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline?

The InChIKey is CBPWMVXWMHBFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6.C38H24N6/c1-3-8-35(9-4-1)52-34-53(36-10-5-2-6-11-36)62-56(61-52)49-28-24-38-14-18-44(33-51(38)59-49)43-17-13-37-23-26-47(58-50(37)32-43)45-21-19-42-31-46(22-20-41(42)30-45)48-27-25-40-16-15-39-12-7-29-57-54(39)55(40)60-48;1-2-6-25(7-3-1)32-16-14-26-10-12-28(20-34(26)41-32)29-13-11-27-15-17-33(42-35(27)21-29)38-43-36(30-8-4-18-39-23-30)22-37(44-38)31-9-5-19-40-24-31/h1-34H;1-24H.

What are the key properties of 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline?

2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline has a molecular weight of 1355.58 g/mol, XLogP of 22.52, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline is sourced from PubChem (CID 164962831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).