2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid

C88H58BF9N8O5S — CID 158683539

About 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid

2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid (PubChem CID 158683539) has the molecular formula C88H58BF9N8O5S and a molecular weight of 1521.34 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid
• PubChem CID: 158683539
• Molecular Formula: C88H58BF9N8O5S
• Molecular Weight: 1521.34 g/mol
• Exact Mass: 1520.42
• IUPAC Name: 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid
• SMILES: O=S(=O)(Oc1ccc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.OB(O)c1ccc(-c2ccccn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7ccccn7)cc6)cc5c4)cc3)n2)cc1
• InChI: InChI=1S/C42H28N4.C35H20F9N3O3S.C11H10BNO2/c1-3-9-33(10-4-1)40-44-41(34-11-5-2-6-12-34)46-42(45-40)35-22-16-30(17-23-35)37-25-19-31-18-24-36(27-38(31)28-37)29-14-20-32(21-15-29)39-13-7-8-26-43-39;36-32(37,34(40,41)42)33(38,39)35(43,44)51(48,49)50-28-18-17-22-13-16-26(19-27(22)20-28)21-11-14-25(15-12-21)31-46-29(23-7-3-1-4-8-23)45-30(47-31)24-9-5-2-6-10-24;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-28H;1-20H;1-8,14-15H
• InChIKey: IFLCGYLNYKZYDT-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 186.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.34
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid?

The IUPAC name of 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid (CID 158683539) is 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid.

What is the SMILES notation for 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid?

The canonical SMILES for 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid is O=S(=O)(Oc1ccc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.OB(O)c1ccc(-c2ccccn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7ccccn7)cc6)cc5c4)cc3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid?

The InChIKey is IFLCGYLNYKZYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4.C35H20F9N3O3S.C11H10BNO2/c1-3-9-33(10-4-1)40-44-41(34-11-5-2-6-12-34)46-42(45-40)35-22-16-30(17-23-35)37-25-19-31-18-24-36(27-38(31)28-37)29-14-20-32(21-15-29)39-13-7-8-26-43-39;36-32(37,34(40,41)42)33(38,39)35(43,44)51(48,49)50-28-18-17-22-13-16-26(19-27(22)20-28)21-11-14-25(15-12-21)31-46-29(23-7-3-1-4-8-23)45-30(47-31)24-9-5-2-6-10-24;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-28H;1-20H;1-8,14-15H.

What are the key properties of 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid?

2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid has a molecular weight of 1521.34 g/mol, XLogP of 20.68, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid is sourced from PubChem (CID 158683539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).