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

C149H102N4S3Si4 — CID 165048268

IUPAC2-[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
SMILESN#Cc1ccccc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3sc4ccccc4c23)c1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3-c3ccccc3C4)c2)cc1.[C-]#[N+]c1cccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4sc5ccccc5c34)c2)c1
InChIInChI=1S/C38H27NSi.3C37H25NSSi/c1-39-32-24-22-28(23-25-32)29-13-10-19-35(27-29)40(33-15-4-2-5-16-33,34-17-6-3-7-18-34)37-21-11-14-31-26-30-12-8-9-20-36(30)38(31)37;1-38-29-15-10-13-27(25-29)28-14-11-20-32(26-28)40(30-16-4-2-5-17-30,31-18-6-3-7-19-31)36-24-12-23-35-37(36)33-21-8-9-22-34(33)39-35;1-38-29-21-19-27(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)33-23-24-37-35(26-33)34-17-8-9-18-36(34)39-37;38-26-28-13-7-8-20-32(28)27-14-11-19-31(25-27)40(29-15-3-1-4-16-29,30-17-5-2-6-18-30)36-24-12-23-35-37(36)33-21-9-10-22-34(33)39-35/h2-25,27H,26H2;2*2-26H;1-25H
InChIKeyPFYQILRRKQZPMC-UHFFFAOYSA-N
MW2157.03 g/mol
LogP29.12
Rot. Bonds20

About 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

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 (PubChem CID 165048268) has the molecular formula C149H102N4S3Si4 and a molecular weight of 2157.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID165048268
Molecular FormulaC149H102N4S3Si4
Molecular Weight2157.03 g/mol
Exact Mass2154.63
IUPAC Name2-[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
SMILESN#Cc1ccccc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3sc4ccccc4c23)c1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3-c3ccccc3C4)c2)cc1.[C-]#[N+]c1cccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4sc5ccccc5c34)c2)c1
InChIInChI=1S/C38H27NSi.3C37H25NSSi/c1-39-32-24-22-28(23-25-32)29-13-10-19-35(27-29)40(33-15-4-2-5-16-33,34-17-6-3-7-18-34)37-21-11-14-31-26-30-12-8-9-20-36(30)38(31)37;1-38-29-15-10-13-27(25-29)28-14-11-20-32(26-28)40(30-16-4-2-5-17-30,31-18-6-3-7-19-31)36-24-12-23-35-37(36)33-21-8-9-22-34(33)39-35;1-38-29-21-19-27(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)33-23-24-37-35(26-33)34-17-8-9-18-36(34)39-37;38-26-28-13-7-8-20-32(28)27-14-11-19-31(25-27)40(29-15-3-1-4-16-29,30-17-5-2-6-18-30)36-24-12-23-35-37(36)33-21-9-10-22-34(33)39-35/h2-25,27H,26H2;2*2-26H;1-25H
InChIKeyPFYQILRRKQZPMC-UHFFFAOYSA-N
XLogP29.12
TPSA36.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002157.03
LogP ≤ 529.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[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 with MolForge

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Related Compounds

dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane
CID 164757114
2-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355471
dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]benzonitrile
CID 156567011
2-[4-[2,6-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile
CID 146354860
2-[2-(5-dibenzothiophen-1-yl-2-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile
CID 146354847
2-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzonitrile
CID 153318850
2-[3,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile
CID 146354938
dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 168845229
2-[3-(2-cyanophenyl)-5-[3,5-di(dibenzothiophen-1-yl)phenyl]phenyl]benzonitrile
CID 146354734
2-carbazol-9-yl-3-[18-(4-isocyanophenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 153462821
(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane
CID 58421117

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccccc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3sc4ccccc4c23)c1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3-c3ccccc3C4)c2)cc1.[C-]#[N+]c1cccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4sc5ccccc5c34)c2)c1.
What is the InChIKey of 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?
The InChIKey is PFYQILRRKQZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NSi.3C37H25NSSi/c1-39-32-24-22-28(23-25-32)29-13-10-19-35(27-29)40(33-15-4-2-5-16-33,34-17-6-3-7-18-34)37-21-11-14-31-26-30-12-8-9-20-36(30)38(31)37;1-38-29-15-10-13-27(25-29)28-14-11-20-32(26-28)40(30-16-4-2-5-17-30,31-18-6-3-7-19-31)36-24-12-23-35-37(36)33-21-8-9-22-34(33)39-35;1-38-29-21-19-27(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)33-23-24-37-35(26-33)34-17-8-9-18-36(34)39-37;38-26-28-13-7-8-20-32(28)27-14-11-19-31(25-27)40(29-15-3-1-4-16-29,30-17-5-2-6-18-30)36-24-12-23-35-37(36)33-21-9-10-22-34(33)39-35/h2-25,27H,26H2;2*2-26H;1-25H.
What are the key properties of 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?
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 has a molecular weight of 2157.03 g/mol, XLogP of 29.12, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165048268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).