[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

C177H115N13Si4 — CID 158538610

IUPAC[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
SMILES[C-]#[N+]c1cc(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc1[N+]#[C-].[C-]#[N+]c1cc([N+]#[C-])c(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc([N+]#[C-])c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc(C#N)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H28N4Si.3C44H29N3Si/c1-47-33-29-40(45(41(30-33)48-2)49-42-24-14-12-22-37(42)39-28-32(31-46)26-27-43(39)49)38-23-13-15-25-44(38)50(34-16-6-3-7-17-34,35-18-8-4-9-19-35)36-20-10-5-11-21-36;1-45-32-30-39(44(40(31-32)46-2)47-41-27-15-12-24-36(41)37-25-13-16-28-42(37)47)38-26-14-17-29-43(38)48(33-18-6-3-7-19-33,34-20-8-4-9-21-34)35-22-10-5-11-23-35;1-45-39-30-38(43(31-40(39)46-2)47-41-27-15-12-24-35(41)36-25-13-16-28-42(36)47)37-26-14-17-29-44(37)48(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34;1-46-39-30-29-32(31-45)43(44(39)47-40-26-14-11-23-36(40)37-24-12-15-27-41(37)47)38-25-13-16-28-42(38)48(33-17-5-2-6-18-33,34-19-7-3-8-20-34)35-21-9-4-10-22-35/h3-30H;2*3-31H;2-30H
InChIKeyHOFZZTFTLMVGQX-UHFFFAOYSA-N
MW2536.30 g/mol
LogP34.91
Rot. Bonds24

About [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

[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 (PubChem CID 158538610) has the molecular formula C177H115N13Si4 and a molecular weight of 2536.30 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158538610
Molecular FormulaC177H115N13Si4
Molecular Weight2536.30 g/mol
Exact Mass2533.85
IUPAC Name[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
SMILES[C-]#[N+]c1cc(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc1[N+]#[C-].[C-]#[N+]c1cc([N+]#[C-])c(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc([N+]#[C-])c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc(C#N)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H28N4Si.3C44H29N3Si/c1-47-33-29-40(45(41(30-33)48-2)49-42-24-14-12-22-37(42)39-28-32(31-46)26-27-43(39)49)38-23-13-15-25-44(38)50(34-16-6-3-7-17-34,35-18-8-4-9-19-35)36-20-10-5-11-21-36;1-45-32-30-39(44(40(31-32)46-2)47-41-27-15-12-24-36(41)37-25-13-16-28-42(37)47)38-26-14-17-29-43(38)48(33-18-6-3-7-19-33,34-20-8-4-9-21-34)35-22-10-5-11-23-35;1-45-39-30-38(43(31-40(39)46-2)47-41-27-15-12-24-35(41)36-25-13-16-28-42(36)47)37-26-14-17-29-44(37)48(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34;1-46-39-30-29-32(31-45)43(44(39)47-40-26-14-11-23-36(40)37-24-12-15-27-41(37)47)38-25-13-16-28-42(38)48(33-17-5-2-6-18-33,34-19-7-3-8-20-34)35-21-9-4-10-22-35/h3-30H;2*3-31H;2-30H
InChIKeyHOFZZTFTLMVGQX-UHFFFAOYSA-N
XLogP34.91
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002536.30
LogP ≤ 534.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [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 with MolForge

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Related Compounds

9-[3-cyano-6-isocyano-2-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318523
9-[2-cyano-5-isocyano-3-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318330
3-(2-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile
CID 153318252
9-[2-cyano-3-(2-triphenylsilylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 153318340
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-[2-cyano-5-isocyano-4-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318525
9-[3-[2-(2-carbazol-9-yl-6-cyano-3-isocyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155604899
9-[2-(2-cyano-4-triphenylsilylphenyl)-5-isocyanophenyl]carbazole-3-carbonitrile
CID 153318709
9-[4-(4,5-diisocyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318851
9-[4-cyano-2-isocyano-5-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318236
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-[3-isocyano-5-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318573

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is [C-]#[N+]c1cc(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc1[N+]#[C-].[C-]#[N+]c1cc([N+]#[C-])c(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc([N+]#[C-])c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc(C#N)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of [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?
The InChIKey is HOFZZTFTLMVGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si.3C44H29N3Si/c1-47-33-29-40(45(41(30-33)48-2)49-42-24-14-12-22-37(42)39-28-32(31-46)26-27-43(39)49)38-23-13-15-25-44(38)50(34-16-6-3-7-17-34,35-18-8-4-9-19-35)36-20-10-5-11-21-36;1-45-32-30-39(44(40(31-32)46-2)47-41-27-15-12-24-36(41)37-25-13-16-28-42(37)47)38-26-14-17-29-43(38)48(33-18-6-3-7-19-33,34-20-8-4-9-21-34)35-22-10-5-11-23-35;1-45-39-30-38(43(31-40(39)46-2)47-41-27-15-12-24-35(41)36-25-13-16-28-42(36)47)37-26-14-17-29-44(37)48(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34;1-46-39-30-29-32(31-45)43(44(39)47-40-26-14-11-23-36(40)37-24-12-15-27-41(37)47)38-25-13-16-28-42(38)48(33-17-5-2-6-18-33,34-19-7-3-8-20-34)35-21-9-4-10-22-35/h3-30H;2*3-31H;2-30H.
What are the key properties of [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?
[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 has a molecular weight of 2536.30 g/mol, XLogP of 34.91, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158538610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).