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

C70H70B3BrN4O6 — CID 159010808

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

2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159010808) has the molecular formula C70H70B3BrN4O6 and a molecular weight of 1175.69 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]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-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159010808
• Molecular Formula: C70H70B3BrN4O6
• Molecular Weight: 1175.69 g/mol
• Exact Mass: 1174.48
• IUPAC Name: 2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cccc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)OC1(C)C
• InChI: InChI=1S/C32H29BN2O2.C26H17BrN2.C12H24B2O4/c1-31(2)32(3,4)37-33(36-31)26-17-11-15-24(21-26)23-14-10-16-25(20-23)30-34-28-19-9-8-18-27(28)29(35-30)22-12-6-5-7-13-22;27-22-13-7-11-20(17-22)19-10-6-12-21(16-19)26-28-24-15-5-4-14-23(24)25(29-26)18-8-2-1-3-9-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3
• InChIKey: JSLQKCNPSZDEBS-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 106.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.69
LogP ≤ 5	16.57
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-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]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-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159010808) is 2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]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-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]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-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cccc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)OC1(C)C.

What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]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 JSLQKCNPSZDEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BN2O2.C26H17BrN2.C12H24B2O4/c1-31(2)32(3,4)37-33(36-31)26-17-11-15-24(21-26)23-14-10-16-25(20-23)30-34-28-19-9-8-18-27(28)29(35-30)22-12-6-5-7-13-22;27-22-13-7-11-20(17-22)19-10-6-12-21(16-19)26-28-24-15-5-4-14-23(24)25(29-26)18-8-2-1-3-9-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3.

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

2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]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 1175.69 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]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 159010808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).