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

C226H210O6S6Si3 — CID 157157714

IUPACbis[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
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3C4(C)C)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C.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(-c3cccc4c3Sc3ccccc3S4)c2)cc1-c1cccc2c1Sc1ccccc1S2.[2H]C([2H])([2H])c1ccc(-c2c(C(C)(C)C)ccc3c2Oc2ccccc2C3(C)C)cc1-c1cc(-c2c(C(C)(C)C)ccc3c2Oc2ccccc2C3(C)C)ccc1C([2H])([2H])[2H]
InChIInChI=1S/C62H60O2Si.C56H48O2S2Si.C56H48S4Si.C52H54O2/c1-59(2,3)49-37-35-43(39-47(49)45-27-21-31-53-57(45)63-55-33-19-17-29-51(55)61(53,7)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)46-28-22-32-54-58(46)64-56-34-20-18-30-52(56)62(54,9)10;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;1-55(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;1-31-21-23-33(45-39(49(3,4)5)25-27-41-47(45)53-43-19-15-13-17-37(43)51(41,9)10)29-35(31)36-30-34(24-22-32(36)2)46-40(50(6,7)8)26-28-42-48(46)54-44-20-16-14-18-38(44)52(42,11)12/h11-40H,1-10H3;2*7-36H,1-6H3;13-30H,1-12H3/i;;;1D3,2D3
InChIKeyALZXUHJWUUSCKX-FEEBHIPOSA-N
MW3304.86 g/mol
LogP56.35
Rot. Bonds23

About 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

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 (PubChem CID 157157714) has the molecular formula C226H210O6S6Si3 and a molecular weight of 3304.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis[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
PubChem CID157157714
Molecular FormulaC226H210O6S6Si3
Molecular Weight3304.86 g/mol
Exact Mass3301.41
IUPAC Namebis[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
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3C4(C)C)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C.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(-c3cccc4c3Sc3ccccc3S4)c2)cc1-c1cccc2c1Sc1ccccc1S2.[2H]C([2H])([2H])c1ccc(-c2c(C(C)(C)C)ccc3c2Oc2ccccc2C3(C)C)cc1-c1cc(-c2c(C(C)(C)C)ccc3c2Oc2ccccc2C3(C)C)ccc1C([2H])([2H])[2H]
InChIInChI=1S/C62H60O2Si.C56H48O2S2Si.C56H48S4Si.C52H54O2/c1-59(2,3)49-37-35-43(39-47(49)45-27-21-31-53-57(45)63-55-33-19-17-29-51(55)61(53,7)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)46-28-22-32-54-58(46)64-56-34-20-18-30-52(56)62(54,9)10;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;1-55(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;1-31-21-23-33(45-39(49(3,4)5)25-27-41-47(45)53-43-19-15-13-17-37(43)51(41,9)10)29-35(31)36-30-34(24-22-32(36)2)46-40(50(6,7)8)26-28-42-48(46)54-44-20-16-14-18-38(44)52(42,11)12/h11-40H,1-10H3;2*7-36H,1-6H3;13-30H,1-12H3/i;;;1D3,2D3
InChIKeyALZXUHJWUUSCKX-FEEBHIPOSA-N
XLogP56.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003304.86
LogP ≤ 556.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
bis[3-(9,9-dimethylxanthen-4-yl)-4-(trideuteriomethyl)phenyl]-methyl-phenylsilane
CID 140831756
[9,9-bis(trideuteriomethyl)thioxanthen-4-yl]-[3-[9,9-bis(trideuteriomethyl)thioxanthen-4-yl]-4-tert-butylphenyl]-diphenylsilane
CID 168793188
[3-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane
CID 140920051
4-[2,4-ditert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-9,9-dimethylxanthene
CID 134165296
bis[3-[9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-4-yl]phenyl]-diphenylsilane
CID 140831734
bis[4-tert-butyl-3-[9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-4-yl]phenyl]-diphenylsilane;bis[3-[9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-4-yl]-4-(trideuteriomethyl)phenyl]-diphenylsilane;[4-tert-butyl-3-[6-(1,1-dideuterioethyl)-9,9-dimethyl-3-(trideuteriomethyl)xanthen-4-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[4-(1-deuteriocyclopentyl)-3-[6-(1,1-dideuterioethyl)-9,9-dimethyl-3-(trideuteriomethyl)xanthen-4-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane
CID 159385068
4-[4-[4-phenoxathiin-4-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]phenoxathiine
CID 140831758
4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 159730276
[3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;[3-(benzimidazolo[2,1-b][1,3]benzoxazol-7-yl)-4-tert-butylphenyl]-(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-diphenylsilane;[3-(benzimidazolo[2,1-b][1,3]benzoxazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane
CID 159656169
5-[3-[5-(3-tert-butyl-9,9-dimethylthioxanthen-4-yl)-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140920023
[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane
CID 159277609

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3Oc3ccccc3C4(C)C)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C.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(-c3cccc4c3Sc3ccccc3S4)c2)cc1-c1cccc2c1Sc1ccccc1S2.[2H]C([2H])([2H])c1ccc(-c2c(C(C)(C)C)ccc3c2Oc2ccccc2C3(C)C)cc1-c1cc(-c2c(C(C)(C)C)ccc3c2Oc2ccccc2C3(C)C)ccc1C([2H])([2H])[2H].
What is the InChIKey of 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?
The InChIKey is ALZXUHJWUUSCKX-FEEBHIPOSA-N. The full InChI is InChI=1S/C62H60O2Si.C56H48O2S2Si.C56H48S4Si.C52H54O2/c1-59(2,3)49-37-35-43(39-47(49)45-27-21-31-53-57(45)63-55-33-19-17-29-51(55)61(53,7)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)46-28-22-32-54-58(46)64-56-34-20-18-30-52(56)62(54,9)10;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;1-55(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;1-31-21-23-33(45-39(49(3,4)5)25-27-41-47(45)53-43-19-15-13-17-37(43)51(41,9)10)29-35(31)36-30-34(24-22-32(36)2)46-40(50(6,7)8)26-28-42-48(46)54-44-20-16-14-18-38(44)52(42,11)12/h11-40H,1-10H3;2*7-36H,1-6H3;13-30H,1-12H3/i;;;1D3,2D3.
What are the key properties of 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?
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 has a molecular weight of 3304.86 g/mol, XLogP of 56.35, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157157714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).