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

C45H28N4Si — CID 153318369

IUPAC9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cccc(C#N)c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C45H28N4Si/c46-29-32-23-26-44-42(27-32)39-20-10-11-22-43(39)49(44)35-25-24-33(30-47)41(28-35)40-21-12-13-34(31-48)45(40)50(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-28H
InChIKeyWDWYPNMPFHLWSY-UHFFFAOYSA-N
MW652.83 g/mol
LogP7.44
Rot. Bonds6

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

9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 153318369) has the molecular formula C45H28N4Si and a molecular weight of 652.83 g/mol. Its IUPAC name is 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
PubChem CID153318369
Molecular FormulaC45H28N4Si
Molecular Weight652.83 g/mol
Exact Mass652.21
IUPAC Name9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cccc(C#N)c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C45H28N4Si/c46-29-32-23-26-44-42(27-32)39-20-10-11-22-43(39)49(44)35-25-24-33(30-47)41(28-35)40-21-12-13-34(31-48)45(40)50(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-28H
InChIKeyWDWYPNMPFHLWSY-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-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 154958894
4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile
CID 153318749
3-carbazol-9-yl-4-[2-(5-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155080664
3-(2-carbazol-9-yl-5-isocyanophenyl)-2-triphenylsilylbenzonitrile
CID 153318522
9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 134513059
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
CID 140903234
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
9-[9-[4-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734413

Frequently Asked Questions

What is the IUPAC name of 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile (CID 153318369) is 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cccc(C#N)c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is WDWYPNMPFHLWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si/c46-29-32-23-26-44-42(27-32)39-20-10-11-22-43(39)49(44)35-25-24-33(30-47)41(28-35)40-21-12-13-34(31-48)45(40)50(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-28H.
What are the key properties of 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile 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 9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 153318369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).