2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline

C132H80N12 — CID 160769683

About 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline

2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline (PubChem CID 160769683) has the molecular formula C132H80N12 and a molecular weight of 1834.18 g/mol. Its IUPAC name is 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline.

Molecular Properties

• Compound Name: 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline
• PubChem CID: 160769683
• Molecular Formula: C132H80N12
• Molecular Weight: 1834.18 g/mol
• Exact Mass: 1832.66
• IUPAC Name: 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline
• SMILES: c1ccc(-c2cc(-c3ccc4ccccc4n3)c3ccc4c(-c5cccnc5)ccc5ccc2c3c54)nc1.c1ccc(-c2cc(-c3ccccn3)c3ccc4c(-c5cccnc5)ccc5ccc2c3c54)nc1.c1ccc(-c2cc(-c3ccccn3)c3ccc4c(-c5cnc6ccccc6c5)ccc5ccc2c3c54)nc1.c1ccc(-c2ccc3ccc4c(-c5ccccn5)cc(-c5ccccn5)c5ccc2c3c45)nc1
• InChI: InChI=1S/2C35H21N3.2C31H19N3/c1-2-8-31-23(7-1)19-24(21-38-31)25-13-11-22-12-14-27-29(32-9-3-5-17-36-32)20-30(33-10-4-6-18-37-33)28-16-15-26(25)34(22)35(27)28;1-2-8-31-22(6-1)12-17-33(38-31)30-20-29(32-9-3-4-19-37-32)27-14-11-23-10-13-25(24-7-5-18-36-21-24)26-15-16-28(30)35(27)34(23)26;1-4-16-32-27(7-1)21-12-10-20-11-13-23-25(28-8-2-5-17-33-28)19-26(29-9-3-6-18-34-29)24-15-14-22(21)30(20)31(23)24;1-3-16-33-28(7-1)26-18-27(29-8-2-4-17-34-29)25-14-13-23-22(21-6-5-15-32-19-21)11-9-20-10-12-24(26)31(25)30(20)23/h2*1-21H;2*1-19H
• InChIKey: RZDLINXGRVRAIG-UHFFFAOYSA-N
• XLogP: 33.39
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1834.18
LogP ≤ 5	33.39
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-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline?

The IUPAC name of 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline (CID 160769683) is 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline.

What is the SMILES notation for 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline?

The canonical SMILES for 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline is c1ccc(-c2cc(-c3ccc4ccccc4n3)c3ccc4c(-c5cccnc5)ccc5ccc2c3c54)nc1.c1ccc(-c2cc(-c3ccccn3)c3ccc4c(-c5cccnc5)ccc5ccc2c3c54)nc1.c1ccc(-c2cc(-c3ccccn3)c3ccc4c(-c5cnc6ccccc6c5)ccc5ccc2c3c54)nc1.c1ccc(-c2ccc3ccc4c(-c5ccccn5)cc(-c5ccccn5)c5ccc2c3c45)nc1.

What is the InChIKey of 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline?

The InChIKey is RZDLINXGRVRAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H21N3.2C31H19N3/c1-2-8-31-23(7-1)19-24(21-38-31)25-13-11-22-12-14-27-29(32-9-3-5-17-36-32)20-30(33-10-4-6-18-37-33)28-16-15-26(25)34(22)35(27)28;1-2-8-31-22(6-1)12-17-33(38-31)30-20-29(32-9-3-4-19-37-32)27-14-11-23-10-13-25(24-7-5-18-36-21-24)26-15-16-28(30)35(27)34(23)26;1-4-16-32-27(7-1)21-12-10-20-11-13-23-25(28-8-2-5-17-33-28)19-26(29-9-3-6-18-34-29)24-15-14-22(21)30(20)31(23)24;1-3-16-33-28(7-1)26-18-27(29-8-2-4-17-34-29)25-14-13-23-22(21-6-5-15-32-19-21)11-9-20-10-12-24(26)31(25)30(20)23/h2*1-21H;2*1-19H.

What are the key properties of 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline?

2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline has a molecular weight of 1834.18 g/mol, XLogP of 33.39, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline is sourced from PubChem (CID 160769683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).