3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane

C176H116N12Si4 — CID 159968106

IUPAC3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane
SMILESN#Cc1cc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.N#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2c(C#N)cccc2-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)ccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c([N+]#[C-])c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/4C44H29N3Si/c1-45-39-29-30-42(48(34-19-6-3-7-20-34,35-21-8-4-9-22-35)36-23-10-5-11-24-36)44(46-2)43(39)32-17-16-18-33(31-32)47-40-27-14-12-25-37(40)38-26-13-15-28-41(38)47;1-46-34-28-33(29-35(30-34)47-42-23-13-11-21-39(42)40-22-12-14-24-43(40)47)41-27-32(31-45)25-26-44(41)48(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38;45-30-32-27-28-43(48(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36)39(29-32)44-33(31-46)15-14-26-42(44)47-40-24-12-10-22-37(40)38-23-11-13-25-41(38)47;45-30-32-24-25-44(47-42-22-12-10-20-39(42)40-21-11-13-23-43(40)47)41(28-32)34-26-33(31-46)27-38(29-34)48(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h3-31H;2-30H;2*1-29H
InChIKeyOEESLNXZSZPYSW-UHFFFAOYSA-N
MW2511.29 g/mol
LogP32.32
Rot. Bonds24

About 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane

3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane (PubChem CID 159968106) has the molecular formula C176H116N12Si4 and a molecular weight of 2511.29 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane.

Molecular Properties

Compound Name3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane
PubChem CID159968106
Molecular FormulaC176H116N12Si4
Molecular Weight2511.29 g/mol
Exact Mass2508.85
IUPAC Name3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane
SMILESN#Cc1cc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.N#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2c(C#N)cccc2-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)ccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c([N+]#[C-])c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/4C44H29N3Si/c1-45-39-29-30-42(48(34-19-6-3-7-20-34,35-21-8-4-9-22-35)36-23-10-5-11-24-36)44(46-2)43(39)32-17-16-18-33(31-32)47-40-27-14-12-25-37(40)38-26-13-15-28-41(38)47;1-46-34-28-33(29-35(30-34)47-42-23-13-11-21-39(42)40-22-12-14-24-43(40)47)41-27-32(31-45)25-26-44(41)48(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38;45-30-32-27-28-43(48(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36)39(29-32)44-33(31-46)15-14-26-42(44)47-40-24-12-10-22-37(40)38-23-11-13-25-41(38)47;45-30-32-24-25-44(47-42-22-12-10-20-39(42)40-21-11-13-23-43(40)47)41(28-32)34-26-33(31-46)27-38(29-34)48(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h3-31H;2-30H;2*1-29H
InChIKeyOEESLNXZSZPYSW-UHFFFAOYSA-N
XLogP32.32
TPSA151.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002511.29
LogP ≤ 532.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane with MolForge

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Related Compounds

9-[2-(4-cyano-2-isocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-(4-cyano-2-isocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;3-(2-cyano-4-triphenylsilylphenyl)-4-(3-isocyanocarbazol-9-yl)benzonitrile;3-isocyano-5-(3-isocyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzonitrile
CID 161044078
4-[2-(3-cyanocarbazol-9-yl)phenyl]-5-triphenylsilylbenzene-1,2-dicarbonitrile;4-[3-(3-cyanocarbazol-9-yl)phenyl]-5-triphenylsilylbenzene-1,2-dicarbonitrile;9-[3-cyano-2-(2-cyano-4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile;methane
CID 158750600
9-[2-cyano-5-isocyano-4-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[5-cyano-2-isocyano-4-(3-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-isocyano-5-(2-isocyano-3-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-(2-isocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;methane
CID 158701729
3-(2-carbazol-9-yl-6-isocyanophenyl)-5-triphenylsilylbenzonitrile
CID 153318872
9-[4-cyano-3-(3-cyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[4-(2,4-diisocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-isocyano-4-(3-isocyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-(2-isocyano-4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 157286644
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile
CID 155604721
3-(2-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile
CID 153318252
4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 162222282
9-[3-cyano-2-(4-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-isocyano-4-(2-isocyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 160828532
3-(4-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-(4-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159244859
6-isocyano-9-[3-isocyano-5-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318573
3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 160865393

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane?
The IUPAC name of 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane (CID 159968106) is 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane.
What is the SMILES notation for 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane?
The canonical SMILES for 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane is N#Cc1cc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.N#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2c(C#N)cccc2-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)ccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c([N+]#[C-])c1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane?
The InChIKey is OEESLNXZSZPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H29N3Si/c1-45-39-29-30-42(48(34-19-6-3-7-20-34,35-21-8-4-9-22-35)36-23-10-5-11-24-36)44(46-2)43(39)32-17-16-18-33(31-32)47-40-27-14-12-25-37(40)38-26-13-15-28-41(38)47;1-46-34-28-33(29-35(30-34)47-42-23-13-11-21-39(42)40-22-12-14-24-43(40)47)41-27-32(31-45)25-26-44(41)48(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38;45-30-32-27-28-43(48(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36)39(29-32)44-33(31-46)15-14-26-42(44)47-40-24-12-10-22-37(40)38-23-11-13-25-41(38)47;45-30-32-24-25-44(47-42-22-12-10-20-39(42)40-21-11-13-23-43(40)47)41(28-32)34-26-33(31-46)27-38(29-34)48(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h3-31H;2-30H;2*1-29H.
What are the key properties of 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane?
3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane has a molecular weight of 2511.29 g/mol, XLogP of 32.32, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-(5-cyano-2-triphenylsilylphenyl)benzonitrile;4-carbazol-9-yl-3-(3-cyano-5-triphenylsilylphenyl)benzonitrile;3-(3-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile;[3-(3-carbazol-9-ylphenyl)-2,4-diisocyanophenyl]-triphenylsilane is sourced from PubChem (CID 159968106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).