1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide

C73H77B3Br2FIN2O6 — CID 161464606

About 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide

1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide (PubChem CID 161464606) has the molecular formula C73H77B3Br2FIN2O6 and a molecular weight of 1416.57 g/mol. Its IUPAC name is 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide.

Molecular Properties

• Compound Name: 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide
• PubChem CID: 161464606
• Molecular Formula: C73H77B3Br2FIN2O6
• Molecular Weight: 1416.57 g/mol
• Exact Mass: 1414.35
• IUPAC Name: 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide
• SMILES: Brc1cccc(-n2c3ccccc3c3ccccc32)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.Fc1cccc(Br)c1.I.[H][H].c1ccc2c(c1)Cc1ccccc1-2
• InChI: InChI=1S/C24H24BNO2.C18H12BrN.C13H10.C12H24B2O4.C6H4BrF.HI.H2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-2-1-3-6(8)4-5;;/h5-16H,1-4H3;1-12H;1-8H,9H2;1-8H3;1-4H;2*1H
• InChIKey: UDLLNARRKBMVHW-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 65.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1416.57
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide?

The IUPAC name of 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide (CID 161464606) is 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide.

What is the SMILES notation for 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide?

The canonical SMILES for 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide is Brc1cccc(-n2c3ccccc3c3ccccc32)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.Fc1cccc(Br)c1.I.[H][H].c1ccc2c(c1)Cc1ccccc1-2.

What is the InChIKey of 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide?

The InChIKey is UDLLNARRKBMVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2.C18H12BrN.C13H10.C12H24B2O4.C6H4BrF.HI.H2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-2-1-3-6(8)4-5;;/h5-16H,1-4H3;1-12H;1-8H,9H2;1-8H3;1-4H;2*1H.

What are the key properties of 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide?

1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide has a molecular weight of 1416.57 g/mol, XLogP of 19.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene;molecular hydrogen;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroiodide is sourced from PubChem (CID 161464606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).