1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C129H103B2Br2Cl5I5N5O9 — CID 165049531

About 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 165049531) has the molecular formula C129H103B2Br2Cl5I5N5O9 and a molecular weight of 2860.49 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 165049531
• Molecular Formula: C129H103B2Br2Cl5I5N5O9
• Molecular Weight: 2860.49 g/mol
• Exact Mass: 2855.00
• IUPAC Name: 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1.Brc1ccc(I)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CI.CI.CI.Clc1ccc(I)c(Cl)c1.Clc1ccc(N2c3ccccc3Oc3ccccc32)c(Cl)c1.Clc1ccc2c(c1)c1cccc3c1n2-c1ccccc1O3.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)[nH]c1ccc(-c3ccc4oc5ccccc5c4c3)cc12
• InChI: InChI=1S/C30H18BrNO.C24H15NO.C18H11Cl2NO.C18H10ClNO.C12H24B2O4.C12H9NO.C6H4BrI.C6H3Cl2I.3CH3I/c31-21-11-13-22(14-12-21)32-27-7-3-1-5-23(27)25-17-19(9-15-28(25)32)20-10-16-30-26(18-20)24-6-2-4-8-29(24)33-30;1-3-7-21-17(5-1)19-13-15(9-11-22(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-23(18)26-24;19-12-9-10-14(13(20)11-12)21-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)21;19-11-8-9-14-13(10-11)12-4-3-7-17-18(12)20(14)15-5-1-2-6-16(15)21-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;7-5-1-3-6(8)4-2-5;7-4-1-2-6(9)5(8)3-4;3*1-2/h1-18H;1-14,25H;1-11H;1-10H;1-8H3;1-8,13H;1-4H;1-3H;3*1H3
• InChIKey: PLCUXKMGORDMRL-UHFFFAOYSA-N
• XLogP: 43.70
• TPSA: 131.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.49
LogP ≤ 5	43.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 165049531) is 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1.Brc1ccc(I)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CI.CI.CI.Clc1ccc(I)c(Cl)c1.Clc1ccc(N2c3ccccc3Oc3ccccc32)c(Cl)c1.Clc1ccc2c(c1)c1cccc3c1n2-c1ccccc1O3.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)[nH]c1ccc(-c3ccc4oc5ccccc5c4c3)cc12.

What is the InChIKey of 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is PLCUXKMGORDMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BrNO.C24H15NO.C18H11Cl2NO.C18H10ClNO.C12H24B2O4.C12H9NO.C6H4BrI.C6H3Cl2I.3CH3I/c31-21-11-13-22(14-12-21)32-27-7-3-1-5-23(27)25-17-19(9-15-28(25)32)20-10-16-30-26(18-20)24-6-2-4-8-29(24)33-30;1-3-7-21-17(5-1)19-13-15(9-11-22(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-23(18)26-24;19-12-9-10-14(13(20)11-12)21-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)21;19-11-8-9-14-13(10-11)12-4-3-7-17-18(12)20(14)15-5-1-2-6-16(15)21-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;7-5-1-3-6(8)4-2-5;7-4-1-2-6(9)5(8)3-4;3*1-2/h1-18H;1-14,25H;1-11H;1-10H;1-8H3;1-8,13H;1-4H;1-3H;3*1H3.

What are the key properties of 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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 2860.49 g/mol, XLogP of 43.70, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;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 165049531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).