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

C66H43N3SSi — CID 166588745

IUPACtriphenyl-[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
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8c9c(ccc87)sc7ccccc79)ccc65)ccc43)c2)cc1
InChIInChI=1S/C66H43N3SSi/c1-4-20-47(21-5-1)71(48-22-6-2-7-23-48,49-24-8-3-9-25-49)50-26-18-19-44(41-50)67-57-31-14-10-27-51(57)55-42-45(35-37-60(55)67)68-58-32-15-11-28-52(58)56-43-46(36-38-61(56)68)69-59-33-16-12-29-53(59)65-62(69)39-40-64-66(65)54-30-13-17-34-63(54)70-64/h1-43H
InChIKeyDMCLAZLUOSKTLJ-UHFFFAOYSA-N
MW938.24 g/mol
LogP14.72
Rot. Bonds7

About 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

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 (PubChem CID 166588745) has the molecular formula C66H43N3SSi and a molecular weight of 938.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametriphenyl-[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
PubChem CID166588745
Molecular FormulaC66H43N3SSi
Molecular Weight938.24 g/mol
Exact Mass937.29
IUPAC Nametriphenyl-[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
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8c9c(ccc87)sc7ccccc79)ccc65)ccc43)c2)cc1
InChIInChI=1S/C66H43N3SSi/c1-4-20-47(21-5-1)71(48-22-6-2-7-23-48,49-24-8-3-9-25-49)50-26-18-19-44(41-50)67-57-31-14-10-27-51(57)55-42-45(35-37-60(55)67)68-58-32-15-11-28-52(58)56-43-46(36-38-61(56)68)69-59-33-16-12-29-53(59)65-62(69)39-40-64-66(65)54-30-13-17-34-63(54)70-64/h1-43H
InChIKeyDMCLAZLUOSKTLJ-UHFFFAOYSA-N
XLogP14.72
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.24
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 164756561
[3-[3-(4-dibenzothiophen-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588331
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779772
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
[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
[3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405539
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-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-nonaene
CID 167193582
25-(3-carbazol-9-ylphenyl)-10-thia-25-azaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8c9c(ccc87)sc7ccccc79)ccc65)ccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is DMCLAZLUOSKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3SSi/c1-4-20-47(21-5-1)71(48-22-6-2-7-23-48,49-24-8-3-9-25-49)50-26-18-19-44(41-50)67-57-31-14-10-27-51(57)55-42-45(35-37-60(55)67)68-58-32-15-11-28-52(58)56-43-46(36-38-61(56)68)69-59-33-16-12-29-53(59)65-62(69)39-40-64-66(65)54-30-13-17-34-63(54)70-64/h1-43H.
What are the key properties of 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?
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 has a molecular weight of 938.24 g/mol, XLogP of 14.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166588745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).