2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile

C45H28N4Si — CID 148966852

IUPAC2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1C#N
InChIInChI=1S/C45H28N4Si/c46-29-32-20-25-44-42(26-32)40-18-10-11-19-43(40)49(44)45-28-34(30-47)41(27-35(45)31-48)33-21-23-39(24-22-33)50(36-12-4-1-5-13-36,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-28H
InChIKeyPTBZGAXKBAMHRY-UHFFFAOYSA-N
MW652.83 g/mol
LogP7.44
Rot. Bonds6

About 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile

2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile (PubChem CID 148966852) has the molecular formula C45H28N4Si and a molecular weight of 652.83 g/mol. Its IUPAC name is 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
PubChem CID148966852
Molecular FormulaC45H28N4Si
Molecular Weight652.83 g/mol
Exact Mass652.21
IUPAC Name2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1C#N
InChIInChI=1S/C45H28N4Si/c46-29-32-20-25-44-42(26-32)40-18-10-11-19-43(40)49(44)45-28-34(30-47)41(27-35(45)31-48)33-21-23-39(24-22-33)50(36-12-4-1-5-13-36,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-28H
InChIKeyPTBZGAXKBAMHRY-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

9-[2-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318525
9-[4-cyano-2-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318236
9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080582
9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
CID 153318709
9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697
4-carbazol-9-yl-5-isocyano-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318409
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile
CID 134292915
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile
CID 153318472
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile (CID 148966852) is 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1C#N.
What is the InChIKey of 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile?
The InChIKey is PTBZGAXKBAMHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si/c46-29-32-20-25-44-42(26-32)40-18-10-11-19-43(40)49(44)45-28-34(30-47)41(27-35(45)31-48)33-21-23-39(24-22-33)50(36-12-4-1-5-13-36,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-28H.
What are the key properties of 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile?
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-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 2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 148966852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).