2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C83H79B3Br2N10O6 — CID 159479033

About 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159479033) has the molecular formula C83H79B3Br2N10O6 and a molecular weight of 1504.85 g/mol. Its IUPAC name is 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;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-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159479033
• Molecular Formula: C83H79B3Br2N10O6
• Molecular Weight: 1504.85 g/mol
• Exact Mass: 1502.48
• IUPAC Name: 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cc2cc3ccccc3cn2n1.Brc1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc3cc4ccccc4cn3n2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4cc5ccccc5cn4n3)n2)cc1
• InChI: InChI=1S/C27H18N4.C17H19BN2O2.C16H11BrN2.C12H24B2O4.C11H7BrN2/c1-3-9-19(10-4-1)24-17-25(20-11-5-2-6-12-20)29-27(28-24)26-16-23-15-21-13-7-8-14-22(21)18-31(23)30-26;1-16(2)17(3,4)22-18(21-16)15-10-14-9-12-7-5-6-8-13(12)11-20(14)19-15;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-11-6-10-5-8-3-1-2-4-9(8)7-14(10)13-11/h1-18H;5-11H,1-4H3;1-11H;1-8H3;1-7H
• InChIKey: LWTLRHSZQMRWFL-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 158.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1504.85
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;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-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159479033) is 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;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-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;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-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cc2cc3ccccc3cn2n1.Brc1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc3cc4ccccc4cn3n2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4cc5ccccc5cn4n3)n2)cc1.

What is the InChIKey of 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is LWTLRHSZQMRWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4.C17H19BN2O2.C16H11BrN2.C12H24B2O4.C11H7BrN2/c1-3-9-19(10-4-1)24-17-25(20-11-5-2-6-12-20)29-27(28-24)26-16-23-15-21-13-7-8-14-22(21)18-31(23)30-26;1-16(2)17(3,4)22-18(21-16)15-10-14-9-12-7-5-6-8-13(12)11-20(14)19-15;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-11-6-10-5-8-3-1-2-4-9(8)7-14(10)13-11/h1-18H;5-11H,1-4H3;1-11H;1-8H3;1-7H.

What are the key properties of 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;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 1504.85 g/mol, XLogP of 19.14, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4,6-diphenylpyrimidine;2-bromopyrazolo[1,5-b]isoquinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline;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 159479033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).