1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C124H112B4Br3IN4O8 — CID 157484270

About 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157484270) has the molecular formula C124H112B4Br3IN4O8 and a molecular weight of 2196.14 g/mol. Its IUPAC name is 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;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: 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157484270
• Molecular Formula: C124H112B4Br3IN4O8
• Molecular Weight: 2196.14 g/mol
• Exact Mass: 2192.54
• IUPAC Name: 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccc(-c3cc4cccnc4c4ccccc34)cc2)cc1.Brc1ccc(-c2ccc(-c3cc4cccnc4c4ccccc34)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc3cccnc3c3ccccc23)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4cc5cccnc5c5ccccc45)cc3)cc2)OC1(C)C
• InChI: InChI=1S/C31H28BNO2.2C25H16BrN.C19H20BNO2.C12H24B2O4.C12H8BrI/c1-30(2)31(3,4)35-32(34-30)25-17-15-22(16-18-25)21-11-13-23(14-12-21)28-20-24-8-7-19-33-29(24)27-10-6-5-9-26(27)28;2*26-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-16-20-4-3-15-27-25(20)23-6-2-1-5-22(23)24;1-18(2)19(3,4)23-20(22-18)16-12-13-8-7-11-21-17(13)15-10-6-5-9-14(15)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h5-20H,1-4H3;2*1-16H;5-12H,1-4H3;1-8H3;1-8H
• InChIKey: BWNFIKQQCNZSCW-UHFFFAOYSA-N
• XLogP: 32.65
• TPSA: 125.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.14
LogP ≤ 5	32.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;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 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157484270) is 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;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 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;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 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(-c3cc4cccnc4c4ccccc34)cc2)cc1.Brc1ccc(-c2ccc(-c3cc4cccnc4c4ccccc34)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc3cccnc3c3ccccc23)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4cc5cccnc5c5ccccc45)cc3)cc2)OC1(C)C.

What is the InChIKey of 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BWNFIKQQCNZSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28BNO2.2C25H16BrN.C19H20BNO2.C12H24B2O4.C12H8BrI/c1-30(2)31(3,4)35-32(34-30)25-17-15-22(16-18-25)21-11-13-23(14-12-21)28-20-24-8-7-19-33-29(24)27-10-6-5-9-26(27)28;2*26-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-16-20-4-3-15-27-25(20)23-6-2-1-5-22(23)24;1-18(2)19(3,4)23-20(22-18)16-12-13-8-7-11-21-17(13)15-10-6-5-9-14(15)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h5-20H,1-4H3;2*1-16H;5-12H,1-4H3;1-8H3;1-8H.

What are the key properties of 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;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 2196.14 g/mol, XLogP of 32.65, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;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 157484270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).