[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane

C44H29N3Si — CID 153318570

IUPAC[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4cc([N+]#[C-])ccc43)cc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c1-45-34-24-27-44-42(31-34)41-20-12-13-21-43(41)47(44)36-25-22-32(23-26-36)33-28-35(46-2)30-40(29-33)48(37-14-6-3-7-15-37,38-16-8-4-9-17-38)39-18-10-5-11-19-39/h3-31H
InChIKeyVWAGUTKPJCCBRH-UHFFFAOYSA-N
MW627.82 g/mol
LogP8.93
Rot. Bonds6

About [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane

[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane (PubChem CID 153318570) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
PubChem CID153318570
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4cc([N+]#[C-])ccc43)cc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c1-45-34-24-27-44-42(31-34)41-20-12-13-21-43(41)47(44)36-25-22-32(23-26-36)33-28-35(46-2)30-40(29-33)48(37-14-6-3-7-15-37,38-16-8-4-9-17-38)39-18-10-5-11-19-39/h3-31H
InChIKeyVWAGUTKPJCCBRH-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'}

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Related Compounds

[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane
CID 153318392
3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane
CID 159476950
[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 169282027
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
9-[4-[3-isocyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
CID 167336176
3-(3-isocyano-5-phenylphenyl)-9-phenyl-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile
CID 158088648
[3-[4-carbazol-9-yl-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836332
6-isocyano-9-[4-[4-[(3-isocyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 153318654
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326

Frequently Asked Questions

What is the IUPAC name of [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The IUPAC name of [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane (CID 153318570) is [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane is [C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4cc([N+]#[C-])ccc43)cc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The InChIKey is VWAGUTKPJCCBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c1-45-34-24-27-44-42(31-34)41-20-12-13-21-43(41)47(44)36-25-22-32(23-26-36)33-28-35(46-2)30-40(29-33)48(37-14-6-3-7-15-37,38-16-8-4-9-17-38)39-18-10-5-11-19-39/h3-31H.
What are the key properties of [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-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 [3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 153318570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).