dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane

C37H25NSSi — CID 164757114

IUPACdibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane
SMILES[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C37H25NSSi/c1-38-29-21-19-27(20-22-29)28-11-10-16-32(25-28)40(30-12-4-2-5-13-30,31-14-6-3-7-15-31)33-23-24-35-34-17-8-9-18-36(34)39-37(35)26-33/h2-26H
InChIKeyQBAGSPUPDHTMEU-UHFFFAOYSA-N
MW543.77 g/mol
LogP7.65
Rot. Bonds5

About dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane

dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane (PubChem CID 164757114) has the molecular formula C37H25NSSi and a molecular weight of 543.77 g/mol. Its IUPAC name is dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane.

Molecular Properties

Compound Namedibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane
PubChem CID164757114
Molecular FormulaC37H25NSSi
Molecular Weight543.77 g/mol
Exact Mass543.15
IUPAC Namedibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane
SMILES[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C37H25NSSi/c1-38-29-21-19-27(20-22-29)28-11-10-16-32(25-28)40(30-12-4-2-5-13-30,31-14-6-3-7-15-31)33-23-24-35-34-17-8-9-18-36(34)39-37(35)26-33/h2-26H
InChIKeyQBAGSPUPDHTMEU-UHFFFAOYSA-N
XLogP7.65
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.77
LogP ≤ 57.65
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

dibenzothiophen-3-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 164757082
dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane
CID 141320991
dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 168845229
2-[3-[dibenzothiophen-1-yl(diphenyl)silyl]phenyl]benzonitrile;dibenzothiophen-1-yl-[3-(3-isocyanophenyl)phenyl]-diphenylsilane;dibenzothiophen-2-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane;9H-fluoren-4-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane
CID 165048268
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
CID 140709047
[4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722214
[3-[4-carbazol-9-yl-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836332
(3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159899285
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
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

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane?
The IUPAC name of dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane (CID 164757114) is dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane.
What is the SMILES notation for dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane?
The canonical SMILES for dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane is [C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2)cc1.
What is the InChIKey of dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane?
The InChIKey is QBAGSPUPDHTMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NSSi/c1-38-29-21-19-27(20-22-29)28-11-10-16-32(25-28)40(30-12-4-2-5-13-30,31-14-6-3-7-15-31)33-23-24-35-34-17-8-9-18-36(34)39-37(35)26-33/h2-26H.
What are the key properties of dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane?
dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane has a molecular weight of 543.77 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane is sourced from PubChem (CID 164757114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).