1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane

C73H56Br2I2N2Si2 — CID 167651414

IUPAC1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane
SMILESBrc1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.Brc1ccc(I)cc1.CI.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C36H26BrNSi.C30H23NSi.C6H4BrI.CH3I/c37-27-20-22-28(23-21-27)38-35-19-11-10-18-33(35)34-26-32(24-25-36(34)38)39(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-4-12-23(13-5-1)32(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-20-21-30-28(22-26)27-18-10-11-19-29(27)31-30;7-5-1-3-6(8)4-2-5;1-2/h1-26H;1-22,31H;1-4H;1H3
InChIKeyQQCVMCIJSMCEHH-UHFFFAOYSA-N
MW1431.05 g/mol
LogP15.73
Rot. Bonds9

About 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane

1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane (PubChem CID 167651414) has the molecular formula C73H56Br2I2N2Si2 and a molecular weight of 1431.05 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane.

Molecular Properties

Compound Name1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane
PubChem CID167651414
Molecular FormulaC73H56Br2I2N2Si2
Molecular Weight1431.05 g/mol
Exact Mass1428.04
IUPAC Name1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane
SMILESBrc1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.Brc1ccc(I)cc1.CI.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C36H26BrNSi.C30H23NSi.C6H4BrI.CH3I/c37-27-20-22-28(23-21-27)38-35-19-11-10-18-33(35)34-26-32(24-25-36(34)38)39(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-4-12-23(13-5-1)32(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-20-21-30-28(22-26)27-18-10-11-19-29(27)31-30;7-5-1-3-6(8)4-2-5;1-2/h1-26H;1-22,31H;1-4H;1H3
InChIKeyQQCVMCIJSMCEHH-UHFFFAOYSA-N
XLogP15.73
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.05
LogP ≤ 515.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
2-(4-bromophenyl)-3-phenylquinoxaline;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazole
CID 159932179
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole
CID 158679994
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;3-(9H-carbazol-3-yl)-9-phenylcarbazole;dibenzothiophen-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 158752201

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane?
The IUPAC name of 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane (CID 167651414) is 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane.
What is the SMILES notation for 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane?
The canonical SMILES for 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane is Brc1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.Brc1ccc(I)cc1.CI.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane?
The InChIKey is QQCVMCIJSMCEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26BrNSi.C30H23NSi.C6H4BrI.CH3I/c37-27-20-22-28(23-21-27)38-35-19-11-10-18-33(35)34-26-32(24-25-36(34)38)39(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-4-12-23(13-5-1)32(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-20-21-30-28(22-26)27-18-10-11-19-29(27)31-30;7-5-1-3-6(8)4-2-5;1-2/h1-26H;1-22,31H;1-4H;1H3.
What are the key properties of 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane?
1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane has a molecular weight of 1431.05 g/mol, XLogP of 15.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane is sourced from PubChem (CID 167651414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).