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

C44H29N3Si — CID 148589577

IUPAC9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-20-27-44-42(28-32)40-18-10-11-19-43(40)47(44)35-24-21-34(31-46)41(29-35)33-22-25-39(26-23-33)48(36-12-4-1-5-13-36,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-29H
InChIKeyNAJFTURUAOGWKV-UHFFFAOYSA-N
MW627.82 g/mol
LogP7.57
Rot. Bonds6

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

9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 148589577) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
PubChem CID148589577
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-20-27-44-42(28-32)40-18-10-11-19-43(40)47(44)35-24-21-34(31-46)41(29-35)33-22-25-39(26-23-33)48(36-12-4-1-5-13-36,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-29H
InChIKeyNAJFTURUAOGWKV-UHFFFAOYSA-N
XLogP7.57
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852
4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile
CID 153318749
9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318369
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
CID 140903234
9-[4-cyano-2-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318236
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
9-[2-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318525
9-[4-(4,5-diisocyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318851

Frequently Asked Questions

What is the IUPAC name of 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile (CID 148589577) is 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is NAJFTURUAOGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c45-30-32-20-27-44-42(28-32)40-18-10-11-19-43(40)47(44)35-24-21-34(31-46)41(29-35)33-22-25-39(26-23-33)48(36-12-4-1-5-13-36,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-29H.
What are the key properties of 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile?
9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 627.82 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 148589577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).