9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile

C45H28N4Si — CID 153318709

IUPAC9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2C#N)c(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H28N4Si/c1-48-34-22-24-41(45(29-34)49-43-20-12-11-19-40(43)42-27-32(30-46)21-26-44(42)49)39-25-23-38(28-33(39)31-47)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37/h2-29H
InChIKeyYGCBVYVRVGJUSJ-UHFFFAOYSA-N
MW652.83 g/mol
LogP8.12
Rot. Bonds6

About 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile

9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile (PubChem CID 153318709) has the molecular formula C45H28N4Si and a molecular weight of 652.83 g/mol. Its IUPAC name is 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
PubChem CID153318709
Molecular FormulaC45H28N4Si
Molecular Weight652.83 g/mol
Exact Mass652.21
IUPAC Name9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2C#N)c(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H28N4Si/c1-48-34-22-24-41(45(29-34)49-43-20-12-11-19-40(43)42-27-32(30-46)21-26-44(42)49)39-25-23-38(28-33(39)31-47)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37/h2-29H
InChIKeyYGCBVYVRVGJUSJ-UHFFFAOYSA-N
XLogP8.12
TPSA56.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.83
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

9-[4-cyano-2-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318236
3-(2-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile
CID 153318252
9-[2-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318525
9-[4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155604994
4-(4-cyano-3-triphenylsilylphenyl)-3-(3-isocyanocarbazol-9-yl)benzonitrile;9-[2-(4-cyano-2-triphenylsilylphenyl)-6-isocyanophenyl]carbazole-3-carbonitrile;9-[5-(4-cyano-2-triphenylsilylphenyl)-2-isocyanophenyl]carbazole-3-carbonitrile;2-[3-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]-5-triphenylsilylbenzonitrile
CID 159996585
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852
9-[5-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155605003
9-[2-cyano-5-isocyano-3-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318330
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
4-[2-(3-cyanocarbazol-9-yl)phenyl]-5-triphenylsilylbenzene-1,2-dicarbonitrile;4-[3-(3-cyanocarbazol-9-yl)phenyl]-5-triphenylsilylbenzene-1,2-dicarbonitrile;9-[3-cyano-2-(2-cyano-4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile;methane
CID 158750600
9-[4-cyano-2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167401161
9-[2-(4-cyano-2-isocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-(4-cyano-2-isocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;3-(2-cyano-4-triphenylsilylphenyl)-4-(3-isocyanocarbazol-9-yl)benzonitrile;3-isocyano-5-(3-isocyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzonitrile
CID 161044078

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile (CID 153318709) is 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile is [C-]#[N+]c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2C#N)c(-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile?
The InChIKey is YGCBVYVRVGJUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si/c1-48-34-22-24-41(45(29-34)49-43-20-12-11-19-40(43)42-27-32(30-46)21-26-44(42)49)39-25-23-38(28-33(39)31-47)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37/h2-29H.
What are the key properties of 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile?
9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile has a molecular weight of 652.83 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 153318709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).