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

C135H84N12Si3 — CID 161112809

IUPAC9-[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
SMILES[C-]#[N+]c1cc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(C#N)c1
InChIInChI=1S/3C45H28N4Si/c1-47-34-24-28-43-40(30-34)39-29-32(31-46)21-27-42(39)49(43)35-25-22-33(23-26-35)45-41(48-2)19-12-20-44(45)50(36-13-6-3-7-14-36,37-15-8-4-9-16-37)38-17-10-5-11-18-38;1-47-35-21-25-45-43(30-35)42-26-32(31-46)18-24-44(42)49(45)37-28-34(27-36(29-37)48-2)33-19-22-41(23-20-33)50(38-12-6-3-7-13-38,39-14-8-4-9-15-39)40-16-10-5-11-17-40;1-48-35-21-25-45-43(29-35)42-26-32(30-46)20-24-44(42)49(45)36-22-23-41(34(27-36)31-47)33-12-11-19-40(28-33)50(37-13-5-2-6-14-37,38-15-7-3-8-16-38)39-17-9-4-10-18-39/h2*3-30H;2-29H
InChIKeyUJXPVQQSUISBPW-UHFFFAOYSA-N
MW1958.50 g/mol
LogP25.72
Rot. Bonds18

About 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

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 (PubChem CID 161112809) has the molecular formula C135H84N12Si3 and a molecular weight of 1958.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID161112809
Molecular FormulaC135H84N12Si3
Molecular Weight1958.50 g/mol
Exact Mass1956.62
IUPAC Name9-[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
SMILES[C-]#[N+]c1cc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(C#N)c1
InChIInChI=1S/3C45H28N4Si/c1-47-34-24-28-43-40(30-34)39-29-32(31-46)21-27-42(39)49(43)35-25-22-33(23-26-35)45-41(48-2)19-12-20-44(45)50(36-13-6-3-7-14-36,37-15-8-4-9-16-37)38-17-10-5-11-18-38;1-47-35-21-25-45-43(30-35)42-26-32(31-46)18-24-44(42)49(45)37-28-34(27-36(29-37)48-2)33-19-22-41(23-20-33)50(38-12-6-3-7-13-38,39-14-8-4-9-15-39)40-16-10-5-11-17-40;1-48-35-21-25-45-43(29-35)42-26-32(30-46)20-24-44(42)49(45)36-22-23-41(34(27-36)31-47)33-12-11-19-40(28-33)50(37-13-5-2-6-14-37,38-15-7-3-8-16-38)39-17-9-4-10-18-39/h2*3-30H;2-29H
InChIKeyUJXPVQQSUISBPW-UHFFFAOYSA-N
XLogP25.72
TPSA131.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001958.50
LogP ≤ 525.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-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 with MolForge

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Related Compounds

6-isocyano-9-[4-[4-[(3-isocyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 153318654
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
6-isocyano-9-[3-isocyano-5-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318573
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-(3-isocyano-5-phenylphenyl)-9-phenyl-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile
CID 158088648
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-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159899289
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-[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
9-[4-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155604257
6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile
CID 157198275
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(C#N)c1.
What is the InChIKey of 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?
The InChIKey is UJXPVQQSUISBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H28N4Si/c1-47-34-24-28-43-40(30-34)39-29-32(31-46)21-27-42(39)49(43)35-25-22-33(23-26-35)45-41(48-2)19-12-20-44(45)50(36-13-6-3-7-14-36,37-15-8-4-9-16-37)38-17-10-5-11-18-38;1-47-35-21-25-45-43(30-35)42-26-32(31-46)18-24-44(42)49(45)37-28-34(27-36(29-37)48-2)33-19-22-41(23-20-33)50(38-12-6-3-7-13-38,39-14-8-4-9-15-39)40-16-10-5-11-17-40;1-48-35-21-25-45-43(29-35)42-26-32(30-46)20-24-44(42)49(45)36-22-23-41(34(27-36)31-47)33-12-11-19-40(28-33)50(37-13-5-2-6-14-37,38-15-7-3-8-16-38)39-17-9-4-10-18-39/h2*3-30H;2-29H.
What are the key properties of 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?
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 has a molecular weight of 1958.50 g/mol, XLogP of 25.72, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161112809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).