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

C96H58N12 — CID 165043020

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

2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 165043020) has the molecular formula C96H58N12 and a molecular weight of 1379.60 g/mol. Its IUPAC name is 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 165043020
• Molecular Formula: C96H58N12
• Molecular Weight: 1379.60 g/mol
• Exact Mass: 1378.49
• IUPAC Name: 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6nc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)ccc6c5)cc4n3)nc(-c3ccccc3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccncn8)nc7c6)ccc5n4)cc3)nc12
• InChI: InChI=1S/C56H34N6.C40H24N6/c1-3-8-35(9-4-1)52-34-53(62-56(61-52)39-10-5-2-6-11-39)50-28-21-36-13-16-43(33-51(36)59-50)42-23-26-47-46(32-42)24-27-48(58-47)44-19-17-41-31-45(20-18-40(41)30-44)49-25-22-38-15-14-37-12-7-29-57-54(37)55(38)60-49;1-2-28-8-9-29-12-15-34(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/h1-34H;1-24H
• InChIKey: OLFDXTYKJDNQEK-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1379.60
LogP ≤ 5	23.16
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-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 165043020) is 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6nc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)ccc6c5)cc4n3)nc(-c3ccccc3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccncn8)nc7c6)ccc5n4)cc3)nc12.

What is the InChIKey of 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is OLFDXTYKJDNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6.C40H24N6/c1-3-8-35(9-4-1)52-34-53(62-56(61-52)39-10-5-2-6-11-39)50-28-21-36-13-16-43(33-51(36)59-50)42-23-26-47-46(32-42)24-27-48(58-47)44-19-17-41-31-45(20-18-40(41)30-44)49-25-22-38-15-14-37-12-7-29-57-54(37)55(38)60-49;1-2-28-8-9-29-12-15-34(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/h1-34H;1-24H.

What are the key properties of 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1379.60 g/mol, XLogP of 23.16, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 165043020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).