1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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

C102H92B3Br3IN3O6 — CID 157278362

IUPAC1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.Brc1ccc(I)cc1.Brc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)OC1(C)C
InChIInChI=1S/C30H28BNO2.C30H20BrN.C24H16BrN.C12H24B2O4.C6H4BrI/c1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-26-25-15-8-9-16-27(25)32(28(26)20-22)24-13-6-5-7-14-24;31-25-16-13-21(14-17-25)22-7-6-8-23(19-22)24-15-18-28-27-11-4-5-12-29(27)32(30(28)20-24)26-9-2-1-3-10-26;25-19-8-6-7-17(15-19)18-13-14-22-21-11-4-5-12-23(21)26(24(22)16-18)20-9-2-1-3-10-20;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/h5-20H,1-4H3;1-20H;1-16H;1-8H3;1-4H
InChIKeyAZJGZYJJRWIWDX-UHFFFAOYSA-N
MW1854.92 g/mol
LogP28.15
Rot. Bonds9

About 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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

1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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 (PubChem CID 157278362) has the molecular formula C102H92B3Br3IN3O6 and a molecular weight of 1854.92 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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.

Molecular Properties

Compound Name1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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
PubChem CID157278362
Molecular FormulaC102H92B3Br3IN3O6
Molecular Weight1854.92 g/mol
Exact Mass1851.39
IUPAC Name1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.Brc1ccc(I)cc1.Brc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)OC1(C)C
InChIInChI=1S/C30H28BNO2.C30H20BrN.C24H16BrN.C12H24B2O4.C6H4BrI/c1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-26-25-15-8-9-16-27(25)32(28(26)20-22)24-13-6-5-7-14-24;31-25-16-13-21(14-17-25)22-7-6-8-23(19-22)24-15-18-28-27-11-4-5-12-29(27)32(30(28)20-24)26-9-2-1-3-10-26;25-19-8-6-7-17(15-19)18-13-14-22-21-11-4-5-12-23(21)26(24(22)16-18)20-9-2-1-3-10-20;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/h5-20H,1-4H3;1-20H;1-16H;1-8H3;1-4H
InChIKeyAZJGZYJJRWIWDX-UHFFFAOYSA-N
XLogP28.15
TPSA70.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001854.92
LogP ≤ 528.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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 with MolForge

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Related Compounds

5-[4-(4,4-Dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-11-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indolo[3,2-b]carbazole
CID 89295968
9-Phenyl-3-[9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 89594565
2-(9-Phenylcarbazol-3-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 89841045
5,11-Bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indolo[3,2-b]carbazole
CID 90085364
9,10-Bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid
CID 90808660
9-[3-Carbazol-9-yl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;1,4-dibromobenzene;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 91053059
5-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-11-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]indolo[3,2-b]carbazole
CID 123791858
5,11-Bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indolo[3,2-b]carbazole
CID 123809507
2-(9-Phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 140777084
9-[3-[5-Carbazol-9-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 140961246
10-Bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole
CID 142373855
9-Phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 144896825

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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?
The IUPAC name of 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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 (CID 157278362) is 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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.
What is the SMILES notation for 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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?
The canonical SMILES for 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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 is Brc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.Brc1ccc(I)cc1.Brc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)OC1(C)C.
What is the InChIKey of 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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?
The InChIKey is AZJGZYJJRWIWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BNO2.C30H20BrN.C24H16BrN.C12H24B2O4.C6H4BrI/c1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-26-25-15-8-9-16-27(25)32(28(26)20-22)24-13-6-5-7-14-24;31-25-16-13-21(14-17-25)22-7-6-8-23(19-22)24-15-18-28-27-11-4-5-12-29(27)32(30(28)20-24)26-9-2-1-3-10-26;25-19-8-6-7-17(15-19)18-13-14-22-21-11-4-5-12-23(21)26(24(22)16-18)20-9-2-1-3-10-20;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/h5-20H,1-4H3;1-20H;1-16H;1-8H3;1-4H.
What are the key properties of 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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?
1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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 has a molecular weight of 1854.92 g/mol, XLogP of 28.15, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;2-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9-phenyl-2-[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 is sourced from PubChem (CID 157278362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).