7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline

C101H61N15 — CID 161112426

About 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline

7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline (PubChem CID 161112426) has the molecular formula C101H61N15 and a molecular weight of 1484.70 g/mol. Its IUPAC name is 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

• Compound Name: 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
• PubChem CID: 161112426
• Molecular Formula: C101H61N15
• Molecular Weight: 1484.70 g/mol
• Exact Mass: 1483.52
• IUPAC Name: 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ncccc34)n2)nc1.c1ccc(-c2cccc(-c3ccc4nc(-c5c6ccccc6nc6c5ccc5cccnc56)ccc4c3)n2)nc1.c1ccc(-c2cccc(-c3cccc(-c4c5ccccc5nc5c4ccc4cccnc45)n3)n2)nc1
• InChI: InChI=1S/2C35H21N5.C31H19N5/c1-2-11-29-25(9-1)32(27-16-15-22-8-6-20-37-33(22)35(27)40-29)26-18-17-23(24-10-7-21-38-34(24)26)28-13-5-14-31(39-28)30-12-3-4-19-36-30;1-2-9-29-25(8-1)33(26-16-13-22-7-6-20-37-34(22)35(26)40-29)32-18-15-24-21-23(14-17-28(24)39-32)27-11-5-12-31(38-27)30-10-3-4-19-36-30;1-2-10-23-21(9-1)29(22-17-16-20-8-7-19-33-30(20)31(22)36-23)28-15-6-14-27(35-28)26-13-5-12-25(34-26)24-11-3-4-18-32-24/h2*1-21H;1-19H
• InChIKey: UJWIGAJRJRVJSY-UHFFFAOYSA-N
• XLogP: 23.67
• TPSA: 193.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.70
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?

The IUPAC name of 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline (CID 161112426) is 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline.

What is the SMILES notation for 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?

The canonical SMILES for 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline is c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ncccc34)n2)nc1.c1ccc(-c2cccc(-c3ccc4nc(-c5c6ccccc6nc6c5ccc5cccnc56)ccc4c3)n2)nc1.c1ccc(-c2cccc(-c3cccc(-c4c5ccccc5nc5c4ccc4cccnc45)n3)n2)nc1.

What is the InChIKey of 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?

The InChIKey is UJWIGAJRJRVJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H21N5.C31H19N5/c1-2-11-29-25(9-1)32(27-16-15-22-8-6-20-37-33(22)35(27)40-29)26-18-17-23(24-10-7-21-38-34(24)26)28-13-5-14-31(39-28)30-12-3-4-19-36-30;1-2-9-29-25(8-1)33(26-16-13-22-7-6-20-37-34(22)35(26)40-29)32-18-15-24-21-23(14-17-28(24)39-32)27-11-5-12-31(38-27)30-10-3-4-19-36-30;1-2-10-23-21(9-1)29(22-17-16-20-8-7-19-33-30(20)31(22)36-23)28-15-6-14-27(35-28)26-13-5-12-25(34-26)24-11-3-4-18-32-24/h2*1-21H;1-19H.

What are the key properties of 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?

7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1484.70 g/mol, XLogP of 23.67, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 161112426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).