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

C135H84N12Si3 — CID 160828532

IUPAC9-[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
SMILESN#Cc1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3cc(C#N)ccc32)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc(C#N)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)ccc1-c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1[N+]#[C-]
InChIInChI=1S/3C45H28N4Si/c1-47-42-26-24-37(50(34-14-6-3-7-15-34,35-16-8-4-9-17-35)36-18-10-5-11-19-36)30-40(42)38-25-23-33(29-43(38)48-2)49-44-21-13-12-20-39(44)41-28-32(31-46)22-27-45(41)49;1-48-42-29-35(49-43-20-12-11-19-40(43)41-27-32(30-46)21-26-44(41)49)28-34(31-47)45(42)33-22-24-39(25-23-33)50(36-13-5-2-6-14-36,37-15-7-3-8-16-37)38-17-9-4-10-18-38;46-29-32-24-26-42-40(27-32)38-20-10-11-21-41(38)49(42)43-22-12-13-34(31-48)45(43)39-25-23-33(30-47)28-44(39)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h3-30H;2-29H;1-28H
InChIKeySGMNVRUOAFNPNY-UHFFFAOYSA-N
MW1958.50 g/mol
LogP24.37
Rot. Bonds18

About 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

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 (PubChem CID 160828532) has the molecular formula C135H84N12Si3 and a molecular weight of 1958.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID160828532
Molecular FormulaC135H84N12Si3
Molecular Weight1958.50 g/mol
Exact Mass1956.62
IUPAC Name9-[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
SMILESN#Cc1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3cc(C#N)ccc32)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc(C#N)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)ccc1-c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1[N+]#[C-]
InChIInChI=1S/3C45H28N4Si/c1-47-42-26-24-37(50(34-14-6-3-7-15-34,35-16-8-4-9-17-35)36-18-10-5-11-19-36)30-40(42)38-25-23-33(29-43(38)48-2)49-44-21-13-12-20-39(44)41-28-32(31-46)22-27-45(41)49;1-48-42-29-35(49-43-20-12-11-19-40(43)41-27-32(30-46)21-26-44(41)49)28-34(31-47)45(42)33-22-24-39(25-23-33)50(36-13-5-2-6-14-36,37-15-7-3-8-16-37)38-17-9-4-10-18-38;46-29-32-24-26-42-40(27-32)38-20-10-11-21-41(38)49(42)43-22-12-13-34(31-48)45(43)39-25-23-33(30-47)28-44(39)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h3-30H;2-29H;1-28H
InChIKeySGMNVRUOAFNPNY-UHFFFAOYSA-N
XLogP24.37
TPSA170.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001958.50
LogP ≤ 524.37
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 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 with MolForge

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Related Compounds

9-[2-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318525
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-[4-(4,5-diisocyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318851
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
3-carbazol-9-yl-2-(5-carbazol-9-yl-2-isocyanophenyl)benzonitrile
CID 169076205
9-[4-cyano-2-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318236
9-[3-isocyano-4-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336695
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
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
9-[3-cyano-6-isocyano-2-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318523
9-[3-cyano-2-[2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604119
9-[3-cyano-2-[2-[4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604423

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3cc(C#N)ccc32)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc(C#N)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)ccc1-c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1[N+]#[C-].
What is the InChIKey of 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?
The InChIKey is SGMNVRUOAFNPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H28N4Si/c1-47-42-26-24-37(50(34-14-6-3-7-15-34,35-16-8-4-9-17-35)36-18-10-5-11-19-36)30-40(42)38-25-23-33(29-43(38)48-2)49-44-21-13-12-20-39(44)41-28-32(31-46)22-27-45(41)49;1-48-42-29-35(49-43-20-12-11-19-40(43)41-27-32(30-46)21-26-44(41)49)28-34(31-47)45(42)33-22-24-39(25-23-33)50(36-13-5-2-6-14-36,37-15-7-3-8-16-37)38-17-9-4-10-18-38;46-29-32-24-26-42-40(27-32)38-20-10-11-21-41(38)49(42)43-22-12-13-34(31-48)45(43)39-25-23-33(30-47)28-44(39)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h3-30H;2-29H;1-28H.
What are the key properties of 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?
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 has a molecular weight of 1958.50 g/mol, XLogP of 24.37, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160828532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).