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

C78H48N12 — CID 165106595

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

2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 165106595) has the molecular formula C78H48N12 and a molecular weight of 1153.33 g/mol. Its IUPAC name is 2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 165106595
• Molecular Formula: C78H48N12
• Molecular Weight: 1153.33 g/mol
• Exact Mass: 1152.41
• IUPAC Name: 2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6nc(-c7cccnc7)cc(-c7cccnc7)n6)nc5c4)ccc3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccncn8)nc7c6)ccc5n4)cc3)nc12
• InChI: InChI=1S/C40H24N6.C38H24N6/c1-2-28-8-9-29-12-15-34(46-40(29)39(28)42-20-1)26-5-3-25(4-6-26)33-17-14-32-22-30(13-16-35(32)44-33)31-10-7-27-11-18-37(45-38(27)23-31)36-19-21-41-24-43-36;1-2-6-25(7-3-1)32-16-14-29-20-27(13-15-33(29)41-32)28-11-10-26-12-17-34(42-35(26)21-28)38-43-36(30-8-4-18-39-23-30)22-37(44-38)31-9-5-19-40-24-31/h1-24H;1-24H
• InChIKey: ZFWIYQWNQYZRDG-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1153.33
LogP ≤ 5	18.04
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-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 165106595) is 2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

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

The canonical SMILES for 2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6nc(-c7cccnc7)cc(-c7cccnc7)n6)nc5c4)ccc3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccncn8)nc7c6)ccc5n4)cc3)nc12.

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

The InChIKey is ZFWIYQWNQYZRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6.C38H24N6/c1-2-28-8-9-29-12-15-34(46-40(29)39(28)42-20-1)26-5-3-25(4-6-26)33-17-14-32-22-30(13-16-35(32)44-33)31-10-7-27-11-18-37(45-38(27)23-31)36-19-21-41-24-43-36;1-2-6-25(7-3-1)32-16-14-29-20-27(13-15-33(29)41-32)28-11-10-26-12-17-34(42-35(26)21-28)38-43-36(30-8-4-18-39-23-30)22-37(44-38)31-9-5-19-40-24-31/h1-24H;1-24H.

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

2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1153.33 g/mol, XLogP of 18.04, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-6-yl)quinoline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 165106595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).