2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C78H74B3BrN4O6 — CID 161203620

About 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161203620) has the molecular formula C78H74B3BrN4O6 and a molecular weight of 1275.81 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161203620
• Molecular Formula: C78H74B3BrN4O6
• Molecular Weight: 1275.81 g/mol
• Exact Mass: 1274.51
• IUPAC Name: 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)c3ccccc23)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4ccccc34)cc2)OC1(C)C
• InChI: InChI=1S/C36H31BN2O2.C30H19BrN2.C12H24B2O4/c1-35(2)36(3,4)41-37(40-35)26-20-18-24(19-21-26)27-22-23-30(29-15-9-8-14-28(27)29)34-38-32-17-11-10-16-31(32)33(39-34)25-12-6-5-7-13-25;31-22-16-14-20(15-17-22)23-18-19-26(25-11-5-4-10-24(23)25)30-32-28-13-7-6-12-27(28)29(33-30)21-8-2-1-3-9-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-23H,1-4H3;1-19H;1-8H3
• InChIKey: UVHSLQMZBMBLSO-UHFFFAOYSA-N
• XLogP: 18.88
• TPSA: 106.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1275.81
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161203620) is 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)c3ccccc23)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4ccccc34)cc2)OC1(C)C.

What is the InChIKey of 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is UVHSLQMZBMBLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31BN2O2.C30H19BrN2.C12H24B2O4/c1-35(2)36(3,4)41-37(40-35)26-20-18-24(19-21-26)27-22-23-30(29-15-9-8-14-28(27)29)34-38-32-17-11-10-16-31(32)33(39-34)25-12-6-5-7-13-25;31-22-16-14-20(15-17-22)23-18-19-26(25-11-5-4-10-24(23)25)30-32-28-13-7-6-12-27(28)29(33-30)21-8-2-1-3-9-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-23H,1-4H3;1-19H;1-8H3.

What are the key properties of 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1275.81 g/mol, XLogP of 18.88, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161203620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).