(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane

C188H156O8S6Si6 — CID 158724899

IUPAC(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane
SMILESCC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2S3)ccc1-c1cccc2c1Oc1ccccc1S2.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(C)C)ccc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Sc2ccccc2S3)ccc1-c1cccc2c1Sc1ccccc1S2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2O3)cc1-c1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C50H48O2Si3.C46H36O4Si.C46H36O2S2Si.C46H36S4Si/c1-50(2,3)40-34-37(32-33-38(40)39-24-18-29-45-48(39)51-41-25-14-16-27-43(41)53(45,4)5)55(35-20-10-8-11-21-35,36-22-12-9-13-23-36)47-31-19-30-46-49(47)52-42-26-15-17-28-44(42)54(46,6)7;1-46(2,3)36-29-28-33(30-35(36)34-20-14-25-41-44(34)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)47-37-21-10-12-23-39(37)49-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)48-38-22-11-13-24-40(38)50-42;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42/h8-34H,1-7H3;3*4-30H,1-3H3
InChIKeyIKJLKBDXQOUOMB-UHFFFAOYSA-N
MW2904.23 g/mol
LogP39.51
Rot. Bonds20

About (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane

(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane (PubChem CID 158724899) has the molecular formula C188H156O8S6Si6 and a molecular weight of 2904.23 g/mol. Its IUPAC name is (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane.

Molecular Properties

Compound Name(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane
PubChem CID158724899
Molecular FormulaC188H156O8S6Si6
Molecular Weight2904.23 g/mol
Exact Mass2900.87
IUPAC Name(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane
SMILESCC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2S3)ccc1-c1cccc2c1Oc1ccccc1S2.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(C)C)ccc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Sc2ccccc2S3)ccc1-c1cccc2c1Sc1ccccc1S2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2O3)cc1-c1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C50H48O2Si3.C46H36O4Si.C46H36O2S2Si.C46H36S4Si/c1-50(2,3)40-34-37(32-33-38(40)39-24-18-29-45-48(39)51-41-25-14-16-27-43(41)53(45,4)5)55(35-20-10-8-11-21-35,36-22-12-9-13-23-36)47-31-19-30-46-49(47)52-42-26-15-17-28-44(42)54(46,6)7;1-46(2,3)36-29-28-33(30-35(36)34-20-14-25-41-44(34)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)47-37-21-10-12-23-39(37)49-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)48-38-22-11-13-24-40(38)50-42;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42/h8-34H,1-7H3;3*4-30H,1-3H3
InChIKeyIKJLKBDXQOUOMB-UHFFFAOYSA-N
XLogP39.51
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002904.23
LogP ≤ 539.51
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 (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane with MolForge

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Related Compounds

Bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane
CID 140831686
(3-Tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane
CID 140831747
(4-Tert-butyl-3-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane
CID 140831749
1-[3-[3-(9,9-Dimethylthioxanthen-4-yl)-2-(trideuteriomethyl)phenyl]-2,6-bis(trideuteriomethyl)phenyl]-6,6-dimethylbenzo[c][1,5,2]benzodioxasilepine
CID 140937389
Ethane;30-methyl-2,2-diphenyl-6,13,21-trioxa-28-thiaheptacyclo[17.12.0.03,16.05,14.07,12.020,29.022,27]hentriaconta-1(19),3,5(14),7,9,11,15,17,20(29),22,24,26,30-tridecaene
CID 142304497
4-[3-[1-(7-Tert-butyl-6-dibenzo-p-dioxin-1-yltetraphenylen-2-yl)-2-methylpropan-2-yl]-14-[2-methyl-2-(3-thianthren-1-yltetraphenylen-2-yl)propyl]tetraphenylen-2-yl]phenoxathiine
CID 146651801
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
Bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane
CID 157326673
1-(3-Methyl-5-triphenylen-2-ylphenyl)dibenzo-p-dioxin;1-(3-triphenylen-2-ylphenyl)dibenzo-p-dioxin;1-(3-triphenylen-2-ylphenyl)phenoxathiine;1-(4-triphenylen-2-ylphenyl)thianthrene
CID 157503641
1-(3-Methyl-5-triphenylen-2-ylphenyl)dibenzo-p-dioxin;1-(3-methyl-5-triphenylen-2-ylphenyl)phenoxathiine;bis(1-(3-triphenylen-2-ylphenyl)phenoxathiine);1-(4-triphenylen-2-ylphenyl)thianthrene
CID 157564175
1-[3-[3-Dibenzo-p-dioxin-1-yl-2,4-bis(trideuteriomethyl)phenyl]-6-(1,1-dideuterioethyl)-2-(trideuteriomethyl)phenyl]dibenzo-p-dioxin;4-[6-(1,1-dideuterioethyl)-3-[3-phenoxathiin-4-yl-2,4-bis(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]phenoxathiine;4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 157634174
(4-Tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(4-tert-butyl-3-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane
CID 157712249

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?
The IUPAC name of (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane (CID 158724899) is (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane.
What is the SMILES notation for (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?
The canonical SMILES for (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane is CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2S3)ccc1-c1cccc2c1Oc1ccccc1S2.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(C)C)ccc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Sc2ccccc2S3)ccc1-c1cccc2c1Sc1ccccc1S2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2O3)cc1-c1cccc2c1Oc1ccccc1O2.
What is the InChIKey of (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?
The InChIKey is IKJLKBDXQOUOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48O2Si3.C46H36O4Si.C46H36O2S2Si.C46H36S4Si/c1-50(2,3)40-34-37(32-33-38(40)39-24-18-29-45-48(39)51-41-25-14-16-27-43(41)53(45,4)5)55(35-20-10-8-11-21-35,36-22-12-9-13-23-36)47-31-19-30-46-49(47)52-42-26-15-17-28-44(42)54(46,6)7;1-46(2,3)36-29-28-33(30-35(36)34-20-14-25-41-44(34)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)47-37-21-10-12-23-39(37)49-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)48-38-22-11-13-24-40(38)50-42;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42/h8-34H,1-7H3;3*4-30H,1-3H3.
What are the key properties of (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?
(4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane has a molecular weight of 2904.23 g/mol, XLogP of 39.51, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3-dibenzo-p-dioxin-1-ylphenyl)-dibenzo-p-dioxin-1-yl-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-phenoxathiin-4-ylphenyl)-phenoxathiin-4-yl-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane is sourced from PubChem (CID 158724899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).