1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C139H116B3Br3IN13O6 — CID 158290583

About 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158290583) has the molecular formula C139H116B3Br3IN13O6 and a molecular weight of 2463.59 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;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-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158290583
• Molecular Formula: C139H116B3Br3IN13O6
• Molecular Weight: 2463.59 g/mol
• Exact Mass: 2459.60
• IUPAC Name: 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.Brc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Brc1ccc(I)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1
• InChI: InChI=1S/C39H33BN4O2.C33H21BrN4.C28H19N3.C21H15BrN2.C12H24B2O4.C6H4BrI/c1-38(2)39(3,4)46-40(45-38)29-20-22-30(23-21-29)44-33-18-12-11-17-31(33)32-25-28(19-24-34(32)44)37-42-35(26-13-7-5-8-14-26)41-36(43-37)27-15-9-6-10-16-27;34-25-16-18-26(19-17-25)38-29-14-8-7-13-27(29)28-21-24(15-20-30(28)38)33-36-31(22-9-3-1-4-10-22)35-32(37-33)23-11-5-2-6-12-23;1-3-9-19(10-4-1)26-29-27(20-11-5-2-6-12-20)31-28(30-26)23-16-15-22-17-21-13-7-8-14-24(21)25(22)18-23;22-19-20(16-10-4-1-5-11-16)23-24(18-14-8-3-9-15-18)21(19)17-12-6-2-7-13-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-1-3-6(8)4-2-5/h5-25H,1-4H3;1-21H;1-16,18H,17H2;1-15H;1-8H3;1-4H
• InChIKey: GLHMHGXTLZXSJH-UHFFFAOYSA-N
• XLogP: 34.72
• TPSA: 199.07 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2463.59
LogP ≤ 5	34.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;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-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158290583) is 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;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-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;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-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.Brc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Brc1ccc(I)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1.

What is the InChIKey of 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is GLHMHGXTLZXSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33BN4O2.C33H21BrN4.C28H19N3.C21H15BrN2.C12H24B2O4.C6H4BrI/c1-38(2)39(3,4)46-40(45-38)29-20-22-30(23-21-29)44-33-18-12-11-17-31(33)32-25-28(19-24-34(32)44)37-42-35(26-13-7-5-8-14-26)41-36(43-37)27-15-9-6-10-16-27;34-25-16-18-26(19-17-25)38-29-14-8-7-13-27(29)28-21-24(15-20-30(28)38)33-36-31(22-9-3-1-4-10-22)35-32(37-33)23-11-5-2-6-12-23;1-3-9-19(10-4-1)26-29-27(20-11-5-2-6-12-20)31-28(30-26)23-16-15-22-17-21-13-7-8-14-24(21)25(22)18-23;22-19-20(16-10-4-1-5-11-16)23-24(18-14-8-3-9-15-18)21(19)17-12-6-2-7-13-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-1-3-6(8)4-2-5/h5-25H,1-4H3;1-21H;1-16,18H,17H2;1-15H;1-8H3;1-4H.

What are the key properties of 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;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 2463.59 g/mol, XLogP of 34.72, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-bromo-1,3,5-triphenylpyrazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2-(9H-fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;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 158290583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).