diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane

C72H46N2S2Si — CID 140811711

IUPACdiphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6c([Si](c7ccccc7)(c7ccccc7)c7cccc8c7sc7ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc78)cccc6c5c4)ccc32)cc1
InChIInChI=1S/C72H46N2S2Si/c1-5-19-51(20-6-1)73-63-31-15-13-27-55(63)59-43-47(35-39-65(59)73)49-37-41-67-61(45-49)57-29-17-33-69(71(57)75-67)77(53-23-9-3-10-24-53,54-25-11-4-12-26-54)70-34-18-30-58-62-46-50(38-42-68(62)76-72(58)70)48-36-40-66-60(44-48)56-28-14-16-32-64(56)74(66)52-21-7-2-8-22-52/h1-46H
InChIKeyGQNVIRDTPSQZQW-UHFFFAOYSA-N
MW1031.39 g/mol
LogP17.33
Rot. Bonds8

About diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane

diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane (PubChem CID 140811711) has the molecular formula C72H46N2S2Si and a molecular weight of 1031.39 g/mol. Its IUPAC name is diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane.

Molecular Properties

Compound Namediphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane
PubChem CID140811711
Molecular FormulaC72H46N2S2Si
Molecular Weight1031.39 g/mol
Exact Mass1030.29
IUPAC Namediphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6c([Si](c7ccccc7)(c7ccccc7)c7cccc8c7sc7ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc78)cccc6c5c4)ccc32)cc1
InChIInChI=1S/C72H46N2S2Si/c1-5-19-51(20-6-1)73-63-31-15-13-27-55(63)59-43-47(35-39-65(59)73)49-37-41-67-61(45-49)57-29-17-33-69(71(57)75-67)77(53-23-9-3-10-24-53,54-25-11-4-12-26-54)70-34-18-30-58-62-46-50(38-42-68(62)76-72(58)70)48-36-40-66-60(44-48)56-28-14-16-32-64(56)74(66)52-21-7-2-8-22-52/h1-46H
InChIKeyGQNVIRDTPSQZQW-UHFFFAOYSA-N
XLogP17.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.39
LogP ≤ 517.33
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'}

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Related Compounds

dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane
CID 140811572
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
dibenzofuran-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;dibenzofuran-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane;dibenzothiophen-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 159706684
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;3-(9H-carbazol-3-yl)-9-phenylcarbazole;dibenzothiophen-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 158752201
3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 164968186
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane
CID 174005488
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
diphenyl-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-(9-phenylpyrido[2,3-b]indol-6-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane
CID 140811539

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane?
The IUPAC name of diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane (CID 140811711) is diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane.
What is the SMILES notation for diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane?
The canonical SMILES for diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane is c1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6c([Si](c7ccccc7)(c7ccccc7)c7cccc8c7sc7ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc78)cccc6c5c4)ccc32)cc1.
What is the InChIKey of diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane?
The InChIKey is GQNVIRDTPSQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N2S2Si/c1-5-19-51(20-6-1)73-63-31-15-13-27-55(63)59-43-47(35-39-65(59)73)49-37-41-67-61(45-49)57-29-17-33-69(71(57)75-67)77(53-23-9-3-10-24-53,54-25-11-4-12-26-54)70-34-18-30-58-62-46-50(38-42-68(62)76-72(58)70)48-36-40-66-60(44-48)56-28-14-16-32-64(56)74(66)52-21-7-2-8-22-52/h1-46H.
What are the key properties of diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane?
diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane has a molecular weight of 1031.39 g/mol, XLogP of 17.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane is sourced from PubChem (CID 140811711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).