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

C180H112N16Si4 — CID 161044078

IUPAC9-[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
SMILES[C-]#[N+]c1cc(C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc([N+]#[C-])c1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N
InChIInChI=1S/4C45H28N4Si/c1-47-34-25-26-43-40(30-34)39-23-12-13-24-42(39)49(43)44-28-32(31-46)27-41(48-2)45(44)33-15-14-22-38(29-33)50(35-16-6-3-7-17-35,36-18-8-4-9-19-36)37-20-10-5-11-21-37;1-48-40-28-33(31-47)29-44(50(34-15-5-2-6-16-34,35-17-7-3-8-18-35)36-19-9-4-10-20-36)45(40)38-22-12-14-24-42(38)49-41-23-13-11-21-37(41)39-27-32(30-46)25-26-43(39)49;1-48-41-27-33(31-47)28-44(50(36-16-5-2-6-17-36,37-18-7-3-8-19-37)38-20-9-4-10-21-38)45(41)34-14-13-15-35(29-34)49-42-23-12-11-22-39(42)40-26-32(30-46)24-25-43(40)49;1-48-34-22-26-45-42(29-34)40-19-11-12-20-43(40)49(45)44-25-21-32(30-46)27-41(44)39-24-23-38(28-33(39)31-47)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37/h3-30H;3*2-29H
InChIKeyUBGMVHQKNPJGBC-UHFFFAOYSA-N
MW2611.33 g/mol
LogP33.17
Rot. Bonds24

About 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

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 (PubChem CID 161044078) has the molecular formula C180H112N16Si4 and a molecular weight of 2611.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID161044078
Molecular FormulaC180H112N16Si4
Molecular Weight2611.33 g/mol
Exact Mass2608.83
IUPAC Name9-[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
SMILES[C-]#[N+]c1cc(C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc([N+]#[C-])c1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N
InChIInChI=1S/4C45H28N4Si/c1-47-34-25-26-43-40(30-34)39-23-12-13-24-42(39)49(43)44-28-32(31-46)27-41(48-2)45(44)33-15-14-22-38(29-33)50(35-16-6-3-7-17-35,36-18-8-4-9-19-36)37-20-10-5-11-21-37;1-48-40-28-33(31-47)29-44(50(34-15-5-2-6-16-34,35-17-7-3-8-18-35)36-19-9-4-10-20-36)45(40)38-22-12-14-24-42(38)49-41-23-13-11-21-37(41)39-27-32(30-46)25-26-43(39)49;1-48-41-27-33(31-47)28-44(50(36-16-5-2-6-17-36,37-18-7-3-8-19-37)38-20-9-4-10-21-38)45(41)34-14-13-15-35(29-34)49-42-23-12-11-22-39(42)40-26-32(30-46)24-25-43(40)49;1-48-34-22-26-45-42(29-34)40-19-11-12-20-43(40)49(45)44-25-21-32(30-46)27-41(44)39-24-23-38(28-33(39)31-47)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37/h3-30H;3*2-29H
InChIKeyUBGMVHQKNPJGBC-UHFFFAOYSA-N
XLogP33.17
TPSA208.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002611.33
LogP ≤ 533.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 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 with MolForge

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Related Compounds

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-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
CID 153318709
4-(4-cyano-3-triphenylsilylphenyl)-3-(3-isocyanocarbazol-9-yl)benzonitrile;9-[2-(4-cyano-2-triphenylsilylphenyl)-6-isocyanophenyl]carbazole-3-carbonitrile;9-[5-(4-cyano-2-triphenylsilylphenyl)-2-isocyanophenyl]carbazole-3-carbonitrile;2-[3-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]-5-triphenylsilylbenzonitrile
CID 159996585
9-[3-cyano-4-(3-triphenylsilylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile;6-isocyano-9-[3-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;6-isocyano-9-[4-(2-isocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 161112809
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
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
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-[3-[6-isocyano-9-(2-isocyanophenyl)carbazol-1-yl]phenyl]carbazole-3-carbonitrile
CID 140760426
9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159899289
9-[3-[3-cyano-4-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603697
2-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzonitrile
CID 153318850
3-(2-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile
CID 153318252

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cc(C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc([N+]#[C-])c1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.
What is the InChIKey of 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?
The InChIKey is UBGMVHQKNPJGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H28N4Si/c1-47-34-25-26-43-40(30-34)39-23-12-13-24-42(39)49(43)44-28-32(31-46)27-41(48-2)45(44)33-15-14-22-38(29-33)50(35-16-6-3-7-17-35,36-18-8-4-9-19-36)37-20-10-5-11-21-37;1-48-40-28-33(31-47)29-44(50(34-15-5-2-6-16-34,35-17-7-3-8-18-35)36-19-9-4-10-20-36)45(40)38-22-12-14-24-42(38)49-41-23-13-11-21-37(41)39-27-32(30-46)25-26-43(39)49;1-48-41-27-33(31-47)28-44(50(36-16-5-2-6-17-36,37-18-7-3-8-19-37)38-20-9-4-10-21-38)45(41)34-14-13-15-35(29-34)49-42-23-12-11-22-39(42)40-26-32(30-46)24-25-43(40)49;1-48-34-22-26-45-42(29-34)40-19-11-12-20-43(40)49(45)44-25-21-32(30-46)27-41(44)39-24-23-38(28-33(39)31-47)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37/h3-30H;3*2-29H.
What are the key properties of 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?
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 has a molecular weight of 2611.33 g/mol, XLogP of 33.17, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161044078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).