[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane

C44H29N3Si — CID 153318372

IUPAC[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c1-45-32-29-30-42(47-40-26-14-12-23-36(40)37-24-13-15-27-41(37)47)38(31-32)44-39(46-2)25-16-28-43(44)48(33-17-6-3-7-18-33,34-19-8-4-9-20-34)35-21-10-5-11-22-35/h3-31H
InChIKeyDYEYMAGVBJAYLF-UHFFFAOYSA-N
MW627.82 g/mol
LogP8.93
Rot. Bonds6

About [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane

[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane (PubChem CID 153318372) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane.

Molecular Properties

Compound Name[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
PubChem CID153318372
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c1-45-32-29-30-42(47-40-26-14-12-23-36(40)37-24-13-15-27-41(37)47)38(31-32)44-39(46-2)25-16-28-43(44)48(33-17-6-3-7-18-33,34-19-8-4-9-20-34)35-21-10-5-11-22-35/h3-31H
InChIKeyDYEYMAGVBJAYLF-UHFFFAOYSA-N
XLogP8.93
TPSA13.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane 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

[2-(2-carbazol-9-yl-3-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
CID 153318535
[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318722
3-(2-carbazol-9-yl-5-isocyanophenyl)-2-triphenylsilylbenzonitrile
CID 153318522
3-(2-carbazol-9-yl-5-isocyanophenyl)-4-triphenylsilylbenzonitrile
CID 153318252
2-(3-cyano-4-triphenylsilylphenyl)-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 153318808
2-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzonitrile
CID 153318850
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
9-[2-cyano-5-isocyano-3-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318330
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-isocyano-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 154603036
3-(2-carbazol-9-yl-6-isocyanophenyl)-5-triphenylsilylbenzonitrile
CID 153318872
[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318560
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole
CID 154602990

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
The IUPAC name of [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane (CID 153318372) is [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane.
What is the SMILES notation for [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
The canonical SMILES for [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane is [C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2c([N+]#[C-])cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
The InChIKey is DYEYMAGVBJAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c1-45-32-29-30-42(47-40-26-14-12-23-36(40)37-24-13-15-27-41(37)47)38(31-32)44-39(46-2)25-16-28-43(44)48(33-17-6-3-7-18-33,34-19-8-4-9-20-34)35-21-10-5-11-22-35/h3-31H.
What are the key properties of [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane?
[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane has a molecular weight of 627.82 g/mol, XLogP of 8.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane is sourced from PubChem (CID 153318372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).