[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane

C150H96N2S6Si3 — CID 159388992

IUPAC[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3sc4sc5ccccc5c4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4sc5sc6ccccc6c5c4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3sc4sc5ccccc5c4c3c2)cc1
InChIInChI=1S/C56H36N2S2Si.C50H32S2Si.C44H28S2Si/c1-3-17-39(18-4-1)61(40-19-5-2-6-20-40,42-31-33-54-48(36-42)55-46-25-10-14-29-53(46)59-56(55)60-54)41-21-15-16-37(34-41)57-51-28-13-9-24-45(51)47-35-38(30-32-52(47)57)58-49-26-11-7-22-43(49)44-23-8-12-27-50(44)58;1-3-15-35(16-4-1)53(36-17-5-2-6-18-36,38-27-28-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)45(43)32-38)37-19-13-14-33(30-37)34-26-29-48-46(31-34)49-44-24-11-12-25-47(44)51-50(49)52-48;1-3-13-29(14-4-1)47(30-15-5-2-6-16-30,32-24-26-42-40(28-32)43-38-21-11-12-22-41(38)45-44(43)46-42)31-23-25-37-35-19-8-7-17-33(35)34-18-9-10-20-36(34)39(37)27-31/h1-36H;1-32H;1-28H
InChIKeyLLWIBBYAIPWJAX-UHFFFAOYSA-N
MW2203.09 g/mol
LogP34.72
Rot. Bonds15

About [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane

[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane (PubChem CID 159388992) has the molecular formula C150H96N2S6Si3 and a molecular weight of 2203.09 g/mol. Its IUPAC name is [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane.

Molecular Properties

Compound Name[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane
PubChem CID159388992
Molecular FormulaC150H96N2S6Si3
Molecular Weight2203.09 g/mol
Exact Mass2200.52
IUPAC Name[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3sc4sc5ccccc5c4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4sc5sc6ccccc6c5c4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3sc4sc5ccccc5c4c3c2)cc1
InChIInChI=1S/C56H36N2S2Si.C50H32S2Si.C44H28S2Si/c1-3-17-39(18-4-1)61(40-19-5-2-6-20-40,42-31-33-54-48(36-42)55-46-25-10-14-29-53(46)59-56(55)60-54)41-21-15-16-37(34-41)57-51-28-13-9-24-45(51)47-35-38(30-32-52(47)57)58-49-26-11-7-22-43(49)44-23-8-12-27-50(44)58;1-3-15-35(16-4-1)53(36-17-5-2-6-18-36,38-27-28-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)45(43)32-38)37-19-13-14-33(30-37)34-26-29-48-46(31-34)49-44-24-11-12-25-47(44)51-50(49)52-48;1-3-13-29(14-4-1)47(30-15-5-2-6-16-30,32-24-26-42-40(28-32)43-38-21-11-12-22-41(38)45-44(43)46-42)31-23-25-37-35-19-8-7-17-33(35)34-18-9-10-20-36(34)39(37)27-31/h1-36H;1-32H;1-28H
InChIKeyLLWIBBYAIPWJAX-UHFFFAOYSA-N
XLogP34.72
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002203.09
LogP ≤ 534.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane with MolForge

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Related Compounds

[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane
CID 163460584
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
triphenyl-[3-[3-[3-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588745
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]silane
CID 167382317
triphenyl-[3-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588203
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane?
The IUPAC name of [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane (CID 159388992) is [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane.
What is the SMILES notation for [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane?
The canonical SMILES for [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3sc4sc5ccccc5c4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4sc5sc6ccccc6c5c4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3sc4sc5ccccc5c4c3c2)cc1.
What is the InChIKey of [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane?
The InChIKey is LLWIBBYAIPWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S2Si.C50H32S2Si.C44H28S2Si/c1-3-17-39(18-4-1)61(40-19-5-2-6-20-40,42-31-33-54-48(36-42)55-46-25-10-14-29-53(46)59-56(55)60-54)41-21-15-16-37(34-41)57-51-28-13-9-24-45(51)47-35-38(30-32-52(47)57)58-49-26-11-7-22-43(49)44-23-8-12-27-50(44)58;1-3-15-35(16-4-1)53(36-17-5-2-6-18-36,38-27-28-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)45(43)32-38)37-19-13-14-33(30-37)34-26-29-48-46(31-34)49-44-24-11-12-25-47(44)51-50(49)52-48;1-3-13-29(14-4-1)47(30-15-5-2-6-16-30,32-24-26-42-40(28-32)43-38-21-11-12-22-41(38)45-44(43)46-42)31-23-25-37-35-19-8-7-17-33(35)34-18-9-10-20-36(34)39(37)27-31/h1-36H;1-32H;1-28H.
What are the key properties of [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane?
[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane has a molecular weight of 2203.09 g/mol, XLogP of 34.72, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane is sourced from PubChem (CID 159388992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).