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

C184H128N16Si4 — CID 158701729

IUPAC9-[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
SMILESC.C.C.C.[C-]#[N+]c1cc(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(C#N)cc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)c(C#N)cc1-c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[N+]#[C-])cc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/4C45H28N4Si.4CH4/c1-47-40-27-26-33(30-43(40)49-41-23-13-12-21-38(41)39-29-32(31-46)25-28-42(39)49)37-22-14-24-44(45(37)48-2)50(34-15-6-3-7-16-34,35-17-8-4-9-18-35)36-19-10-5-11-20-36;1-47-34-28-33(29-35(30-34)49-42-23-13-12-21-39(42)40-27-32(31-46)25-26-43(40)49)45-41(48-2)22-14-24-44(45)50(36-15-6-3-7-16-36,37-17-8-4-9-18-37)38-19-10-5-11-20-38;1-48-41-29-44(49-42-23-13-11-21-37(42)40-27-32(30-46)25-26-43(40)49)33(31-47)28-39(41)38-22-12-14-24-45(38)50(34-15-5-2-6-16-34,35-17-7-3-8-18-35)36-19-9-4-10-20-36;1-48-42-29-40(34(31-47)28-45(42)49-43-23-12-11-22-39(43)41-26-32(30-46)24-25-44(41)49)33-14-13-21-38(27-33)50(35-15-5-2-6-16-35,36-17-7-3-8-18-36)37-19-9-4-10-20-37;;;;/h2*3-30H;2*2-29H;4*1H4
InChIKeyIHPWIZZSHPDMEK-UHFFFAOYSA-N
MW2675.50 g/mol
LogP36.39
Rot. Bonds24

About 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

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 (PubChem CID 158701729) has the molecular formula C184H128N16Si4 and a molecular weight of 2675.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158701729
Molecular FormulaC184H128N16Si4
Molecular Weight2675.50 g/mol
Exact Mass2672.96
IUPAC Name9-[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
SMILESC.C.C.C.[C-]#[N+]c1cc(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(C#N)cc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)c(C#N)cc1-c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[N+]#[C-])cc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/4C45H28N4Si.4CH4/c1-47-40-27-26-33(30-43(40)49-41-23-13-12-21-38(41)39-29-32(31-46)25-28-42(39)49)37-22-14-24-44(45(37)48-2)50(34-15-6-3-7-16-34,35-17-8-4-9-18-35)36-19-10-5-11-20-36;1-47-34-28-33(29-35(30-34)49-42-23-13-12-21-39(42)40-27-32(31-46)25-26-43(40)49)45-41(48-2)22-14-24-44(45)50(36-15-6-3-7-16-36,37-17-8-4-9-18-37)38-19-10-5-11-20-38;1-48-41-29-44(49-42-23-13-11-21-37(42)40-27-32(30-46)25-26-43(40)49)33(31-47)28-39(41)38-22-12-14-24-45(38)50(34-15-5-2-6-16-34,35-17-7-3-8-18-35)36-19-9-4-10-20-36;1-48-42-29-40(34(31-47)28-45(42)49-43-23-12-11-22-39(43)41-26-32(30-46)24-25-44(41)49)33-14-13-21-38(27-33)50(35-15-5-2-6-16-35,36-17-7-3-8-18-36)37-19-9-4-10-20-37;;;;/h2*3-30H;2*2-29H;4*1H4
InChIKeyIHPWIZZSHPDMEK-UHFFFAOYSA-N
XLogP36.39
TPSA188.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002675.50
LogP ≤ 536.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-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 with MolForge

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Related Compounds

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-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-[2-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318525
9-[4-cyano-2-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318236
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
6-isocyano-9-[3-isocyano-5-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318573
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-(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
[2-(2-carbazol-9-yl-3,5-diisocyanophenyl)phenyl]-triphenylsilane;[2-(2-carbazol-9-yl-4,5-diisocyanophenyl)phenyl]-triphenylsilane;3-carbazol-9-yl-4-isocyano-2-(2-triphenylsilylphenyl)benzonitrile;9-[2,4-diisocyano-6-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 158538610
9-[2-cyano-5-isocyano-3-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318330
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.[C-]#[N+]c1cc(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(C#N)cc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C#N)ccc32)c(C#N)cc1-c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2[N+]#[C-])cc1-n1c2ccccc2c2cc(C#N)ccc21.
What is the InChIKey of 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?
The InChIKey is IHPWIZZSHPDMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H28N4Si.4CH4/c1-47-40-27-26-33(30-43(40)49-41-23-13-12-21-38(41)39-29-32(31-46)25-28-42(39)49)37-22-14-24-44(45(37)48-2)50(34-15-6-3-7-16-34,35-17-8-4-9-18-35)36-19-10-5-11-20-36;1-47-34-28-33(29-35(30-34)49-42-23-13-12-21-39(42)40-27-32(31-46)25-26-43(40)49)45-41(48-2)22-14-24-44(45)50(36-15-6-3-7-16-36,37-17-8-4-9-18-37)38-19-10-5-11-20-38;1-48-41-29-44(49-42-23-13-11-21-37(42)40-27-32(30-46)25-26-43(40)49)33(31-47)28-39(41)38-22-12-14-24-45(38)50(34-15-5-2-6-16-34,35-17-7-3-8-18-35)36-19-9-4-10-20-36;1-48-42-29-40(34(31-47)28-45(42)49-43-23-12-11-22-39(43)41-26-32(30-46)24-25-44(41)49)33-14-13-21-38(27-33)50(35-15-5-2-6-16-35,36-17-7-3-8-18-36)37-19-9-4-10-20-37;;;;/h2*3-30H;2*2-29H;4*1H4.
What are the key properties of 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?
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 has a molecular weight of 2675.50 g/mol, XLogP of 36.39, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158701729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).