2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

C56H34N6 — CID 164780822

About 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (PubChem CID 164780822) has the molecular formula C56H34N6 and a molecular weight of 790.93 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.

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
• PubChem CID: 164780822
• Molecular Formula: C56H34N6
• Molecular Weight: 790.93 g/mol
• Exact Mass: 790.28
• IUPAC Name: 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)nc6c5)cc4n3)n2)cc1
• InChI: InChI=1S/C56H34N6/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/h1-34H
• InChIKey: MAVGMXSXNAMRSY-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.93
LogP ≤ 5	13.82
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-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

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 (CID 164780822) is 2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

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?

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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)nc6c5)cc4n3)n2)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?

The InChIKey is MAVGMXSXNAMRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6/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/h1-34H.

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-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline has a molecular weight of 790.93 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 164780822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).