3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline

C117H75N15 — CID 159183116

About 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline

3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline (PubChem CID 159183116) has the molecular formula C117H75N15 and a molecular weight of 1690.99 g/mol. Its IUPAC name is 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
• PubChem CID: 159183116
• Molecular Formula: C117H75N15
• Molecular Weight: 1690.99 g/mol
• Exact Mass: 1689.63
• IUPAC Name: 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5cccnc5)n4)cc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)n4)cc3)nc3ccc4ccccc4c23)cc1
• InChI: InChI=1S/3C39H25N5/c1-2-10-26(11-3-1)31-24-35(42-33-21-20-27-12-4-5-13-30(27)38(31)33)28-16-18-29(19-17-28)36-25-37(32-14-6-8-22-40-32)44-39(43-36)34-15-7-9-23-41-34;1-2-8-26(9-3-1)33-22-35(42-34-19-18-27-10-4-5-13-32(27)38(33)34)28-14-16-29(17-15-28)36-23-37(30-11-6-20-40-24-30)44-39(43-36)31-12-7-21-41-25-31;1-2-6-26(7-3-1)33-24-35(42-34-15-14-27-8-4-5-9-32(27)38(33)34)28-10-12-29(13-11-28)36-25-37(30-16-20-40-21-17-30)44-39(43-36)31-18-22-41-23-19-31/h3*1-25H
• InChIKey: KNDMVHFTEWCSPF-UHFFFAOYSA-N
• XLogP: 27.91
• TPSA: 193.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1690.99
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline?

The IUPAC name of 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline (CID 159183116) is 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline.

What is the SMILES notation for 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline?

The canonical SMILES for 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5cccnc5)n4)cc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)n4)cc3)nc3ccc4ccccc4c23)cc1.

What is the InChIKey of 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline?

The InChIKey is KNDMVHFTEWCSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C39H25N5/c1-2-10-26(11-3-1)31-24-35(42-33-21-20-27-12-4-5-13-30(27)38(31)33)28-16-18-29(19-17-28)36-25-37(32-14-6-8-22-40-32)44-39(43-36)34-15-7-9-23-41-34;1-2-8-26(9-3-1)33-22-35(42-34-19-18-27-10-4-5-13-32(27)38(33)34)28-14-16-29(17-15-28)36-23-37(30-11-6-20-40-24-30)44-39(43-36)31-12-7-21-41-25-31;1-2-6-26(7-3-1)33-24-35(42-34-15-14-27-8-4-5-9-32(27)38(33)34)28-10-12-29(13-11-28)36-25-37(30-16-20-40-21-17-30)44-39(43-36)31-18-22-41-23-19-31/h3*1-25H.

What are the key properties of 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline?

3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline has a molecular weight of 1690.99 g/mol, XLogP of 27.91, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 159183116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).