bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene

C212H186O8S6Si5 — CID 158745587

IUPACbis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3O4)c2)cc1-c1cccc2c1Oc1ccccc1O2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3S4)c2)cc1-c1cccc2c1Oc1ccccc1S2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3[Si]4(C)C)c2)cc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.[2H]C([2H])([2H])c1cc(-c2cccc3c2Sc2ccccc2S3)c(C([2H])([2H])[2H])cc1-c1cc(C([2H])([2H])[2H])c(-c2cccc3c2Sc2ccccc2S3)cc1C([2H])([2H])[2H]
InChIInChI=1S/C60H60O2Si3.C56H48O4Si.C56H48O2S2Si.C40H30S4/c1-59(2,3)49-37-35-43(39-47(49)45-27-21-33-55-57(45)61-51-29-17-19-31-53(51)63(55,7)8)65(41-23-13-11-14-24-41,42-25-15-12-16-26-42)44-36-38-50(60(4,5)6)48(40-44)46-28-22-34-56-58(46)62-52-30-18-20-32-54(52)64(56,9)10;1-55(2,3)45-33-31-39(35-43(45)41-23-17-29-51-53(41)59-49-27-15-13-25-47(49)57-51)61(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(56(4,5)6)44(36-40)42-24-18-30-52-54(42)60-50-28-16-14-26-48(50)58-52;1-55(2,3)45-33-31-39(35-43(45)41-23-17-29-51-53(41)57-47-25-13-15-27-49(47)59-51)61(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(56(4,5)6)44(36-40)42-24-18-30-52-54(42)58-48-26-14-16-28-50(48)60-52;1-23-21-31(25(3)19-29(23)27-11-9-17-37-39(27)43-35-15-7-5-13-33(35)41-37)32-22-24(2)30(20-26(32)4)28-12-10-18-38-40(28)44-36-16-8-6-14-34(36)42-38/h11-40H,1-10H3;2*7-36H,1-6H3;5-22H,1-4H3/i;;;1D3,2D3,3D3,4D3
InChIKeyIMVQSAHNGQJFEC-RROVLAPUSA-N
MW3206.72 g/mol
LogP50.30
Rot. Bonds25

About bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene

bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene (PubChem CID 158745587) has the molecular formula C212H186O8S6Si5 and a molecular weight of 3206.72 g/mol. Its IUPAC name is bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene.

Molecular Properties

Compound Namebis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene
PubChem CID158745587
Molecular FormulaC212H186O8S6Si5
Molecular Weight3206.72 g/mol
Exact Mass3203.21
IUPAC Namebis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3O4)c2)cc1-c1cccc2c1Oc1ccccc1O2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3S4)c2)cc1-c1cccc2c1Oc1ccccc1S2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3[Si]4(C)C)c2)cc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.[2H]C([2H])([2H])c1cc(-c2cccc3c2Sc2ccccc2S3)c(C([2H])([2H])[2H])cc1-c1cc(C([2H])([2H])[2H])c(-c2cccc3c2Sc2ccccc2S3)cc1C([2H])([2H])[2H]
InChIInChI=1S/C60H60O2Si3.C56H48O4Si.C56H48O2S2Si.C40H30S4/c1-59(2,3)49-37-35-43(39-47(49)45-27-21-33-55-57(45)61-51-29-17-19-31-53(51)63(55,7)8)65(41-23-13-11-14-24-41,42-25-15-12-16-26-42)44-36-38-50(60(4,5)6)48(40-44)46-28-22-34-56-58(46)62-52-30-18-20-32-54(52)64(56,9)10;1-55(2,3)45-33-31-39(35-43(45)41-23-17-29-51-53(41)59-49-27-15-13-25-47(49)57-51)61(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(56(4,5)6)44(36-40)42-24-18-30-52-54(42)60-50-28-16-14-26-48(50)58-52;1-55(2,3)45-33-31-39(35-43(45)41-23-17-29-51-53(41)57-47-25-13-15-27-49(47)59-51)61(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(56(4,5)6)44(36-40)42-24-18-30-52-54(42)58-48-26-14-16-28-50(48)60-52;1-23-21-31(25(3)19-29(23)27-11-9-17-37-39(27)43-35-15-7-5-13-33(35)41-37)32-22-24(2)30(20-26(32)4)28-12-10-18-38-40(28)44-36-16-8-6-14-34(36)42-38/h11-40H,1-10H3;2*7-36H,1-6H3;5-22H,1-4H3/i;;;1D3,2D3,3D3,4D3
InChIKeyIMVQSAHNGQJFEC-RROVLAPUSA-N
XLogP50.30
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003206.72
LogP ≤ 550.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene with MolForge

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Related Compounds

bis[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;bis(4-tert-butyl-3-thianthren-1-ylphenyl)-diphenylsilane;3-tert-butyl-4-[3-[5-(3-tert-butyl-9,9-dimethylxanthen-4-yl)-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]-9,9-dimethylxanthene
CID 157157714
4-[4-[4-phenoxathiin-4-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]phenoxathiine
CID 140831758
[9,9-bis(trideuteriomethyl)thioxanthen-4-yl]-[3-[9,9-bis(trideuteriomethyl)thioxanthen-4-yl]-4-tert-butylphenyl]-diphenylsilane
CID 168793188
bis[4-(1-deuteriocyclopentyl)-3-[10-methyl-10-(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]phenyl]-diphenylsilane
CID 159535111
N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-4-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenyl-N-(4-thianthren-1-ylphenyl)aniline
CID 159509314
4-[4-[4-[9,9-bis(trideuteriomethyl)xanthen-4-yl]-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasiline
CID 168793202
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline
CID 123521859
bis[4-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-3-(1-deuteriocyclopentyl)phenyl]-diphenylsilane
CID 168793219
[4-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-3-tert-butylphenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane
CID 140920086
N-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-10,10-dimethyl-N-(4-phenoxathiin-4-ylphenyl)benzo[b][1,4]benzoxasilin-4-amine
CID 123880201
4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 123864613
4-[4-[4-(9,9-dimethylxanthen-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 174068734

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene?
The IUPAC name of bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene (CID 158745587) is bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene.
What is the SMILES notation for bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene?
The canonical SMILES for bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene is CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3O4)c2)cc1-c1cccc2c1Oc1ccccc1O2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3S4)c2)cc1-c1cccc2c1Oc1ccccc1S2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3[Si]4(C)C)c2)cc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.[2H]C([2H])([2H])c1cc(-c2cccc3c2Sc2ccccc2S3)c(C([2H])([2H])[2H])cc1-c1cc(C([2H])([2H])[2H])c(-c2cccc3c2Sc2ccccc2S3)cc1C([2H])([2H])[2H].
What is the InChIKey of bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene?
The InChIKey is IMVQSAHNGQJFEC-RROVLAPUSA-N. The full InChI is InChI=1S/C60H60O2Si3.C56H48O4Si.C56H48O2S2Si.C40H30S4/c1-59(2,3)49-37-35-43(39-47(49)45-27-21-33-55-57(45)61-51-29-17-19-31-53(51)63(55,7)8)65(41-23-13-11-14-24-41,42-25-15-12-16-26-42)44-36-38-50(60(4,5)6)48(40-44)46-28-22-34-56-58(46)62-52-30-18-20-32-54(52)64(56,9)10;1-55(2,3)45-33-31-39(35-43(45)41-23-17-29-51-53(41)59-49-27-15-13-25-47(49)57-51)61(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(56(4,5)6)44(36-40)42-24-18-30-52-54(42)60-50-28-16-14-26-48(50)58-52;1-55(2,3)45-33-31-39(35-43(45)41-23-17-29-51-53(41)57-47-25-13-15-27-49(47)59-51)61(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(56(4,5)6)44(36-40)42-24-18-30-52-54(42)58-48-26-14-16-28-50(48)60-52;1-23-21-31(25(3)19-29(23)27-11-9-17-37-39(27)43-35-15-7-5-13-33(35)41-37)32-22-24(2)30(20-26(32)4)28-12-10-18-38-40(28)44-36-16-8-6-14-34(36)42-38/h11-40H,1-10H3;2*7-36H,1-6H3;5-22H,1-4H3/i;;;1D3,2D3,3D3,4D3.
What are the key properties of bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene?
bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene has a molecular weight of 3206.72 g/mol, XLogP of 50.30, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;bis[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;1-[4-[4-thianthren-1-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]thianthrene is sourced from PubChem (CID 158745587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).