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

C181H116N16Si4 — CID 158750600

IUPAC4-[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
SMILESC.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)c(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(C#N)c(C#N)cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(C#N)cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/4C45H28N4Si.CH4/c1-48-35-24-25-44-42(29-35)40-22-11-12-23-43(40)49(44)45-28-34(31-47)33(30-46)27-41(45)32-14-13-21-39(26-32)50(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38;46-29-32-24-25-44-40(26-32)38-20-10-12-22-42(38)49(44)43-23-13-11-21-39(43)41-27-33(30-47)34(31-48)28-45(41)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37;46-29-32-23-24-44-42(25-32)40-21-10-11-22-43(40)49(44)36-14-12-13-33(26-36)41-27-34(30-47)35(31-48)28-45(41)50(37-15-4-1-5-16-37,38-17-6-2-7-18-38)39-19-8-3-9-20-39;46-29-32-23-26-43-41(27-32)40-20-10-11-21-42(40)49(43)44-22-12-13-33(30-47)45(44)39-25-24-38(28-34(39)31-48)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37;/h2-29H;3*1-28H;1H4
InChIKeyINKUKNZRKUTZQU-UHFFFAOYSA-N
MW2627.37 g/mol
LogP31.09
Rot. Bonds24

About 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

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 (PubChem CID 158750600) has the molecular formula C181H116N16Si4 and a molecular weight of 2627.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158750600
Molecular FormulaC181H116N16Si4
Molecular Weight2627.37 g/mol
Exact Mass2624.86
IUPAC Name4-[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
SMILESC.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)c(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(C#N)c(C#N)cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(C#N)cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/4C45H28N4Si.CH4/c1-48-35-24-25-44-42(29-35)40-22-11-12-23-43(40)49(44)45-28-34(31-47)33(30-46)27-41(45)32-14-13-21-39(26-32)50(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38;46-29-32-24-25-44-40(26-32)38-20-10-12-22-42(38)49(44)43-23-13-11-21-39(43)41-27-33(30-47)34(31-48)28-45(41)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37;46-29-32-23-24-44-42(25-32)40-21-10-11-22-43(40)49(44)36-14-12-13-33(26-36)41-27-34(30-47)35(31-48)28-45(41)50(37-15-4-1-5-16-37,38-17-6-2-7-18-38)39-19-8-3-9-20-39;46-29-32-23-26-43-41(27-32)40-20-10-11-21-42(40)49(43)44-22-12-13-33(30-47)45(44)39-25-24-38(28-34(39)31-48)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37;/h2-29H;3*1-28H;1H4
InChIKeyINKUKNZRKUTZQU-UHFFFAOYSA-N
XLogP31.09
TPSA285.77 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002627.37
LogP ≤ 531.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
CID 153318709
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155604610
9-[3-cyano-2-[2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604119
9-[3-[2-(2-carbazol-9-ylphenyl)-4-isocyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile
CID 155603912
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-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062
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-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
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-[3-[6-isocyano-9-(2-isocyanophenyl)carbazol-1-yl]phenyl]carbazole-3-carbonitrile
CID 140760426
9-[2-cyano-5-(3-cyanophenyl)-4-(3-isocyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 155646735

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)c(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(C#N)c(C#N)cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(C#N)cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is INKUKNZRKUTZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H28N4Si.CH4/c1-48-35-24-25-44-42(29-35)40-22-11-12-23-43(40)49(44)45-28-34(31-47)33(30-46)27-41(45)32-14-13-21-39(26-32)50(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38;46-29-32-24-25-44-40(26-32)38-20-10-12-22-42(38)49(44)43-23-13-11-21-39(43)41-27-33(30-47)34(31-48)28-45(41)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37;46-29-32-23-24-44-42(25-32)40-21-10-11-22-43(40)49(44)36-14-12-13-33(26-36)41-27-34(30-47)35(31-48)28-45(41)50(37-15-4-1-5-16-37,38-17-6-2-7-18-38)39-19-8-3-9-20-39;46-29-32-23-26-43-41(27-32)40-20-10-11-21-42(40)49(43)44-22-12-13-33(30-47)45(44)39-25-24-38(28-34(39)31-48)50(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37;/h2-29H;3*1-28H;1H4.
What are the key properties of 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?
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 has a molecular weight of 2627.37 g/mol, XLogP of 31.09, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158750600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).