5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane

C74H58B2Br3IN6O4 — CID 158741294

About 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane

5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane (PubChem CID 158741294) has the molecular formula C74H58B2Br3IN6O4 and a molecular weight of 1483.56 g/mol. Its IUPAC name is 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane
• PubChem CID: 158741294
• Molecular Formula: C74H58B2Br3IN6O4
• Molecular Weight: 1483.56 g/mol
• Exact Mass: 1480.13
• IUPAC Name: 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane
• SMILES: Brc1cnc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ncc(Br)cn4)ccc2-3)nc1.Brc1cnc(I)nc1.CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2-3)OC1(C)C
• InChI: InChI=1S/C37H38B2O4.C33H18Br2N4.C4H2BrIN2/c1-33(2)34(3,4)41-38(40-33)23-17-19-27-28-20-18-24(39-42-35(5,6)36(7,8)43-39)22-32(28)37(31(27)21-23)29-15-11-9-13-25(29)26-14-10-12-16-30(26)37;34-21-15-36-31(37-16-21)19-9-11-25-26-12-10-20(32-38-17-22(35)18-39-32)14-30(26)33(29(25)13-19)27-7-3-1-5-23(27)24-6-2-4-8-28(24)33;5-3-1-7-4(6)8-2-3/h9-22H,1-8H3;1-18H;1-2H
• InChIKey: IMIFONHQQZAYPN-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 114.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.56
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane (CID 158741294) is 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane is Brc1cnc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ncc(Br)cn4)ccc2-3)nc1.Brc1cnc(I)nc1.CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2-3)OC1(C)C.

What is the InChIKey of 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane?

The InChIKey is IMIFONHQQZAYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38B2O4.C33H18Br2N4.C4H2BrIN2/c1-33(2)34(3,4)41-38(40-33)23-17-19-27-28-20-18-24(39-42-35(5,6)36(7,8)43-39)22-32(28)37(31(27)21-23)29-15-11-9-13-25(29)26-14-10-12-16-30(26)37;34-21-15-36-31(37-16-21)19-9-11-25-26-12-10-20(32-38-17-22(35)18-39-32)14-30(26)33(29(25)13-19)27-7-3-1-5-23(27)24-6-2-4-8-28(24)33;5-3-1-7-4(6)8-2-3/h9-22H,1-8H3;1-18H;1-2H.

What are the key properties of 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane?

5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane has a molecular weight of 1483.56 g/mol, XLogP of 16.94, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[7'-(5-bromopyrimidin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;5-bromo-2-iodopyrimidine;4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158741294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).