[2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane

C44H29N3Si — CID 153318535

IUPAC[2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
SMILES[C-]#[N+]c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc([N+]#[C-])c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H29N3Si/c1-45-38-27-17-31-42(48(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34)43(38)37-26-16-28-39(46-2)44(37)47-40-29-14-12-24-35(40)36-25-13-15-30-41(36)47/h3-31H
InChIKeyNZHRSQBZDLGXQS-UHFFFAOYSA-N
MW627.82 g/mol
LogP8.93
Rot. Bonds6

About [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane

[2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane (PubChem CID 153318535) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane.

Molecular Properties

Compound Name[2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
PubChem CID153318535
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name[2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
SMILES[C-]#[N+]c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc([N+]#[C-])c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H29N3Si/c1-45-38-27-17-31-42(48(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34)43(38)37-26-16-28-39(46-2)44(37)47-40-29-14-12-24-35(40)36-25-13-15-30-41(36)47/h3-31H
InChIKeyNZHRSQBZDLGXQS-UHFFFAOYSA-N
XLogP8.93
TPSA13.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
CID 153318372
9-[3-cyano-6-isocyano-2-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318523
[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318722
2-carbazol-9-yl-3-isocyano-6-(4-triphenylsilylphenyl)benzonitrile
CID 153318620
4-carbazol-9-yl-3-isocyano-5-(4-triphenylsilylphenyl)benzonitrile
CID 153318635
1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
CID 140759923
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434
3-(2-carbazol-9-yl-6-isocyanophenyl)-5-triphenylsilylbenzonitrile
CID 153318872
[2-(2-carbazol-9-yl-3,5-diisocyanophenyl)phenyl]-triphenylsilane;[2-(2-carbazol-9-yl-4,5-diisocyanophenyl)phenyl]-triphenylsilane;3-carbazol-9-yl-4-isocyano-2-(2-triphenylsilylphenyl)benzonitrile;9-[2,4-diisocyano-6-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 158538610
3-carbazol-9-yl-9-[4-(2,6-diisocyanophenyl)-2,6-diphenylphenyl]carbazole
CID 140903077
5-[2-isocyano-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 140704997
9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole
CID 169076323

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
The IUPAC name of [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane (CID 153318535) is [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane.
What is the SMILES notation for [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
The canonical SMILES for [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane is [C-]#[N+]c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc([N+]#[C-])c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
The InChIKey is NZHRSQBZDLGXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c1-45-38-27-17-31-42(48(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34)43(38)37-26-16-28-39(46-2)44(37)47-40-29-14-12-24-35(40)36-25-13-15-30-41(36)47/h3-31H.
What are the key properties of [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
[2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane has a molecular weight of 627.82 g/mol, XLogP of 8.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane is sourced from PubChem (CID 153318535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).