2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride

C95H68BCl2FN7O2+ — CID 157290752

About 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride

2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride (PubChem CID 157290752) has the molecular formula C95H68BCl2FN7O2+ and a molecular weight of 1440.35 g/mol. Its IUPAC name is 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride.

Molecular Properties

• Compound Name: 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride
• PubChem CID: 157290752
• Molecular Formula: C95H68BCl2FN7O2+
• Molecular Weight: 1440.35 g/mol
• Exact Mass: 1438.49
• IUPAC Name: 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride
• SMILES: CC1(C)OB(c2ccc(-c3ccncc3)cc2)OC1(C)C.Clc1nc(Cl)c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)c2n1.F.[C+]1=C(c2nc(-c3ccc(-c4ccncc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3n2)C=CC(c2ccncc2)=C1
• InChI: InChI=1S/C50H31N4.C28H16Cl2N2.C17H20BNO2.FH/c1-3-7-41-29-43(19-13-33(41)5-1)45-31-46(44-20-14-34-6-2-4-8-42(34)30-44)49-47(32-45)48(39-15-9-35(10-16-39)37-21-25-51-26-22-37)53-50(54-49)40-17-11-36(12-18-40)38-23-27-52-28-24-38;29-27-25-16-23(21-11-9-17-5-1-3-7-19(17)13-21)15-24(26(25)31-28(30)32-27)22-12-10-18-6-2-4-8-20(18)14-22;1-16(2)17(3,4)21-18(20-16)15-7-5-13(6-8-15)14-9-11-19-12-10-14;/h1-17,19-32H;1-16H;5-12H,1-4H3;1H/q+1
• InChIKey: BATSNDDUHPHVGC-UHFFFAOYSA-N
• XLogP: 24.01
• TPSA: 108.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1440.35
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride?

The IUPAC name of 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride (CID 157290752) is 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride.

What is the SMILES notation for 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride?

The canonical SMILES for 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride is CC1(C)OB(c2ccc(-c3ccncc3)cc2)OC1(C)C.Clc1nc(Cl)c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)c2n1.F.[C+]1=C(c2nc(-c3ccc(-c4ccncc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3n2)C=CC(c2ccncc2)=C1.

What is the InChIKey of 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride?

The InChIKey is BATSNDDUHPHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N4.C28H16Cl2N2.C17H20BNO2.FH/c1-3-7-41-29-43(19-13-33(41)5-1)45-31-46(44-20-14-34-6-2-4-8-42(34)30-44)49-47(32-45)48(39-15-9-35(10-16-39)37-21-25-51-26-22-37)53-50(54-49)40-17-11-36(12-18-40)38-23-27-52-28-24-38;29-27-25-16-23(21-11-9-17-5-1-3-7-19(17)13-21)15-24(26(25)31-28(30)32-27)22-12-10-18-6-2-4-8-20(18)14-22;1-16(2)17(3,4)21-18(20-16)15-7-5-13(6-8-15)14-9-11-19-12-10-14;/h1-17,19-32H;1-16H;5-12H,1-4H3;1H/q+1;;;.

What are the key properties of 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride?

2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride has a molecular weight of 1440.35 g/mol, XLogP of 24.01, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride is sourced from PubChem (CID 157290752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).