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

C180H112N16Si4 — CID 159996585

IUPAC4-(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
SMILES[C-]#[N+]c1ccc(-c2ccc(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cccc1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)ccc1-c1ccc(C#N)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-c2ccc(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/4C45H28N4Si/c1-47-33-25-28-44-41(30-33)39-21-12-13-24-43(39)49(44)45-40(22-14-23-42(45)48-2)38-27-26-37(29-32(38)31-46)50(34-15-6-3-7-16-34,35-17-8-4-9-18-35)36-19-10-5-11-20-36;1-48-41-22-13-21-39(45(41)49-42-23-12-11-20-37(42)40-28-32(30-46)25-27-43(40)49)38-26-24-33(31-47)29-44(38)50(34-14-5-2-6-15-34,35-16-7-3-8-17-35)36-18-9-4-10-19-36;1-48-41-25-23-34(29-44(41)49-42-20-12-11-19-39(42)40-27-32(30-46)22-26-43(40)49)38-24-21-33(31-47)28-45(38)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37;1-48-35-24-26-43-41(29-35)40-19-11-12-20-42(40)49(43)44-27-32(30-46)21-25-39(44)33-22-23-34(31-47)45(28-33)50(36-13-5-2-6-14-36,37-15-7-3-8-16-37)38-17-9-4-10-18-38/h3-30H;3*2-29H
InChIKeyOHPQTLAKHBZHMK-UHFFFAOYSA-N
MW2611.33 g/mol
LogP33.17
Rot. Bonds24

About 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

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 (PubChem CID 159996585) has the molecular formula C180H112N16Si4 and a molecular weight of 2611.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159996585
Molecular FormulaC180H112N16Si4
Molecular Weight2611.33 g/mol
Exact Mass2608.83
IUPAC Name4-(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
SMILES[C-]#[N+]c1ccc(-c2ccc(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cccc1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)ccc1-c1ccc(C#N)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-c2ccc(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/4C45H28N4Si/c1-47-33-25-28-44-41(30-33)39-21-12-13-24-43(39)49(44)45-40(22-14-23-42(45)48-2)38-27-26-37(29-32(38)31-46)50(34-15-6-3-7-16-34,35-17-8-4-9-18-35)36-19-10-5-11-20-36;1-48-41-22-13-21-39(45(41)49-42-23-12-11-20-37(42)40-28-32(30-46)25-27-43(40)49)38-26-24-33(31-47)29-44(38)50(34-14-5-2-6-15-34,35-16-7-3-8-17-35)36-18-9-4-10-19-36;1-48-41-25-23-34(29-44(41)49-42-20-12-11-19-39(42)40-27-32(30-46)22-26-43(40)49)38-24-21-33(31-47)28-45(38)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37;1-48-35-24-26-43-41(29-35)40-19-11-12-20-42(40)49(43)44-27-32(30-46)21-25-39(44)33-22-23-34(31-47)45(28-33)50(36-13-5-2-6-14-36,37-15-7-3-8-16-37)38-17-9-4-10-18-38/h3-30H;3*2-29H
InChIKeyOHPQTLAKHBZHMK-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 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 with MolForge

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Related Compounds

9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
CID 153318709
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
3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile;9-[2-cyano-6-(2-cyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-(3-cyano-2-triphenylsilylphenyl)-6-isocyanophenyl]carbazole-3-carbonitrile;3-[5-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]-2-triphenylsilylbenzonitrile
CID 160610331
9-[4-cyano-2-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318236
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-[3-cyano-6-isocyano-2-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318523
9-[2-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318525
9-[4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155604163
9-[5-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155605003
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
6-isocyano-9-[4-[4-[(3-isocyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 153318654

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc(-c2ccc(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cccc1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)ccc1-c1ccc(C#N)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-c2ccc(C#N)cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-n1c2ccccc2c2cc(C#N)ccc21.
What is the InChIKey of 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?
The InChIKey is OHPQTLAKHBZHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H28N4Si/c1-47-33-25-28-44-41(30-33)39-21-12-13-24-43(39)49(44)45-40(22-14-23-42(45)48-2)38-27-26-37(29-32(38)31-46)50(34-15-6-3-7-16-34,35-17-8-4-9-18-35)36-19-10-5-11-20-36;1-48-41-22-13-21-39(45(41)49-42-23-12-11-20-37(42)40-28-32(30-46)25-27-43(40)49)38-26-24-33(31-47)29-44(38)50(34-14-5-2-6-15-34,35-16-7-3-8-17-35)36-18-9-4-10-19-36;1-48-41-25-23-34(29-44(41)49-42-20-12-11-19-39(42)40-27-32(30-46)22-26-43(40)49)38-24-21-33(31-47)28-45(38)50(35-13-5-2-6-14-35,36-15-7-3-8-16-36)37-17-9-4-10-18-37;1-48-35-24-26-43-41(29-35)40-19-11-12-20-42(40)49(43)44-27-32(30-46)21-25-39(44)33-22-23-34(31-47)45(28-33)50(36-13-5-2-6-14-36,37-15-7-3-8-16-37)38-17-9-4-10-18-38/h3-30H;3*2-29H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 159996585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).