2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile

C44H29N3Si — CID 153318739

IUPAC2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile
SMILESN#Cc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2C#N)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-27-28-39(43(29-32)47-41-24-12-10-21-37(41)38-22-11-13-25-42(38)47)36-23-14-26-44(40(36)31-46)48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H
InChIKeyXZDQWZUOQABMPV-UHFFFAOYSA-N
MW627.82 g/mol
LogP7.57
Rot. Bonds6

About 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile

2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile (PubChem CID 153318739) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile
PubChem CID153318739
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile
SMILESN#Cc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2C#N)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-27-28-39(43(29-32)47-41-24-12-10-21-37(41)38-22-11-13-25-42(38)47)36-23-14-26-44(40(36)31-46)48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H
InChIKeyXZDQWZUOQABMPV-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-(2-carbazol-9-yl-5-cyanophenyl)-6-triphenylsilylbenzonitrile
CID 152785157
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
9-[2-cyano-3-(2-triphenylsilylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 153318340
9-[2-cyano-5-isocyano-3-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318330
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080699
2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
CID 153318376
3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile
CID 153318472
9-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile?
The IUPAC name of 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile (CID 153318739) is 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile.
What is the SMILES notation for 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile?
The canonical SMILES for 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile is N#Cc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2C#N)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile?
The InChIKey is XZDQWZUOQABMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c45-30-32-27-28-39(43(29-32)47-41-24-12-10-21-37(41)38-22-11-13-25-42(38)47)36-23-14-26-44(40(36)31-46)48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H.
What are the key properties of 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile?
2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile 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 2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile is sourced from PubChem (CID 153318739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).