[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane

C36H25Br2NSi — CID 58687534

IUPAC[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H25Br2NSi/c37-26-16-22-35-33(24-26)34-25-27(38)17-23-36(34)39(35)28-18-20-32(21-19-28)40(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-25H
InChIKeyHHCRNUNLHTWLMP-UHFFFAOYSA-N
MW659.50 g/mol
LogP7.69
Rot. Bonds5

About [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane

[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane (PubChem CID 58687534) has the molecular formula C36H25Br2NSi and a molecular weight of 659.50 g/mol. Its IUPAC name is [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
PubChem CID58687534
Molecular FormulaC36H25Br2NSi
Molecular Weight659.50 g/mol
Exact Mass657.01
IUPAC Name[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H25Br2NSi/c37-26-16-22-35-33(24-26)34-25-27(38)17-23-36(34)39(35)28-18-20-32(21-19-28)40(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-25H
InChIKeyHHCRNUNLHTWLMP-UHFFFAOYSA-N
XLogP7.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.50
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
CID 59469948
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 162490214
CID 89213448
CID 89213448
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
1-bromo-4-iodobenzene;[9-(4-bromophenyl)carbazol-3-yl]-triphenylsilane;9H-carbazol-3-yl(triphenyl)silane;iodomethane
CID 167651414

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane?
The IUPAC name of [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane (CID 58687534) is [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane?
The canonical SMILES for [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane?
The InChIKey is HHCRNUNLHTWLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25Br2NSi/c37-26-16-22-35-33(24-26)34-25-27(38)17-23-36(34)39(35)28-18-20-32(21-19-28)40(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-25H.
What are the key properties of [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane?
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane has a molecular weight of 659.50 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 58687534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).