3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile

C45H28N4Si — CID 153318472

IUPAC3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)ccc(C#N)c1C#N
InChIInChI=1S/C45H28N4Si/c46-29-32-23-26-44-41(27-32)40-21-10-11-22-43(40)49(44)45-39(25-24-34(30-47)42(45)31-48)33-13-12-20-38(28-33)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h1-28H
InChIKeyQRXUTIIQZNWWMH-UHFFFAOYSA-N
MW652.83 g/mol
LogP7.44
Rot. Bonds6

About 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile

3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile (PubChem CID 153318472) has the molecular formula C45H28N4Si and a molecular weight of 652.83 g/mol. Its IUPAC name is 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile
PubChem CID153318472
Molecular FormulaC45H28N4Si
Molecular Weight652.83 g/mol
Exact Mass652.21
IUPAC Name3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)ccc(C#N)c1C#N
InChIInChI=1S/C45H28N4Si/c46-29-32-23-26-44-41(27-32)40-21-10-11-22-43(40)49(44)45-39(25-24-34(30-47)42(45)31-48)33-13-12-20-38(28-33)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h1-28H
InChIKeyQRXUTIIQZNWWMH-UHFFFAOYSA-N
XLogP7.44
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.83
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile;9-[2-cyano-6-(2-cyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-(3-cyano-2-triphenylsilylphenyl)-6-isocyanophenyl]carbazole-3-carbonitrile;3-[5-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]-2-triphenylsilylbenzonitrile
CID 160610331
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852
4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155604429
9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 148910617
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
CID 153318709
2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile
CID 153318739
3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081631
3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 158311970
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile (CID 153318472) is 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)ccc(C#N)c1C#N.
What is the InChIKey of 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile?
The InChIKey is QRXUTIIQZNWWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si/c46-29-32-23-26-44-41(27-32)40-21-10-11-22-43(40)49(44)45-39(25-24-34(30-47)42(45)31-48)33-13-12-20-38(28-33)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h1-28H.
What are the key properties of 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile?
3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile has a molecular weight of 652.83 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 153318472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).