[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

C174H150N6O7SSi3 — CID 159656169

IUPAC[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
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3oc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3oc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1O2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3sc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C60H54N2O2Si.C57H48N2O3Si.C57H48N2O2SSi/c1-58(2,3)47-35-33-41(37-45(47)43-25-20-30-52-55(43)61-57-62(52)51-29-16-18-32-54(51)64-57)65(39-21-11-9-12-22-39,40-23-13-10-14-24-40)42-34-36-48(59(4,5)6)46(38-42)44-26-19-28-50-56(44)63-53-31-17-15-27-49(53)60(50,7)8;1-56(2,3)45-33-31-39(35-43(45)41-23-17-26-48-53(41)58-55-59(48)47-25-13-14-27-49(47)62-55)63(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(57(4,5)6)44(36-40)42-24-18-30-52-54(42)61-51-29-16-15-28-50(51)60-52;1-56(2,3)45-33-31-39(35-43(45)41-23-17-26-48-53(41)58-55-59(48)47-25-13-16-30-52(47)62-55)63(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(57(4,5)6)44(36-40)42-24-18-29-51-54(42)61-50-28-15-14-27-49(50)60-51/h9-38H,1-8H3;2*7-36H,1-6H3
InChIKeyMSFAFCYWAVYGLZ-UHFFFAOYSA-N
MW2553.47 g/mol
LogP38.32
Rot. Bonds18

About [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

[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 (PubChem CID 159656169) has the molecular formula C174H150N6O7SSi3 and a molecular weight of 2553.47 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159656169
Molecular FormulaC174H150N6O7SSi3
Molecular Weight2553.47 g/mol
Exact Mass2551.06
IUPAC Name[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
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3oc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3oc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1O2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3sc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C60H54N2O2Si.C57H48N2O3Si.C57H48N2O2SSi/c1-58(2,3)47-35-33-41(37-45(47)43-25-20-30-52-55(43)61-57-62(52)51-29-16-18-32-54(51)64-57)65(39-21-11-9-12-22-39,40-23-13-10-14-24-40)42-34-36-48(59(4,5)6)46(38-42)44-26-19-28-50-56(44)63-53-31-17-15-27-49(53)60(50,7)8;1-56(2,3)45-33-31-39(35-43(45)41-23-17-26-48-53(41)58-55-59(48)47-25-13-14-27-49(47)62-55)63(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(57(4,5)6)44(36-40)42-24-18-30-52-54(42)61-51-29-16-15-28-50(51)60-52;1-56(2,3)45-33-31-39(35-43(45)41-23-17-26-48-53(41)58-55-59(48)47-25-13-16-30-52(47)62-55)63(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(57(4,5)6)44(36-40)42-24-18-29-51-54(42)61-50-28-15-14-27-49(50)60-51/h9-38H,1-8H3;2*7-36H,1-6H3
InChIKeyMSFAFCYWAVYGLZ-UHFFFAOYSA-N
XLogP38.32
TPSA124.33 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.47
LogP ≤ 538.32
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 [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 with MolForge

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Related Compounds

[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
7-[3,5-ditert-butyl-2-(9,9-dimethylxanthen-4-yl)-4-pyridinyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 140919969
[4-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-3-tert-butylphenyl]-(9-methyl-9H-xanthen-4-yl)-diphenylsilane
CID 174068756
[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
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
[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane
CID 140937123
4-[2,4-ditert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-9,9-dimethylxanthene
CID 134165296
bis[3-(9,9-dimethylxanthen-4-yl)-4-(trideuteriomethyl)phenyl]-methyl-phenylsilane
CID 140831756
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-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane
CID 140920039
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-10,10-dimethylbenzo[b][1,4]benzothiasilin-8-yl]benzimidazolo[1,2-a]benzimidazole;5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-10,10-dimethylbenzo[b][1,4]benzoxasilin-8-yl]benzimidazolo[1,2-a]benzimidazole;5-[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylthioxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole;5-[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole;[3-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-4-tert-butylphenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-dimethylsilane;[3-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-4-tert-butylphenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane
CID 159221313

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3oc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3oc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1O2.CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3sc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1O2.
What is the InChIKey of [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?
The InChIKey is MSFAFCYWAVYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N2O2Si.C57H48N2O3Si.C57H48N2O2SSi/c1-58(2,3)47-35-33-41(37-45(47)43-25-20-30-52-55(43)61-57-62(52)51-29-16-18-32-54(51)64-57)65(39-21-11-9-12-22-39,40-23-13-10-14-24-40)42-34-36-48(59(4,5)6)46(38-42)44-26-19-28-50-56(44)63-53-31-17-15-27-49(53)60(50,7)8;1-56(2,3)45-33-31-39(35-43(45)41-23-17-26-48-53(41)58-55-59(48)47-25-13-14-27-49(47)62-55)63(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(57(4,5)6)44(36-40)42-24-18-30-52-54(42)61-51-29-16-15-28-50(51)60-52;1-56(2,3)45-33-31-39(35-43(45)41-23-17-26-48-53(41)58-55-59(48)47-25-13-16-30-52(47)62-55)63(37-19-9-7-10-20-37,38-21-11-8-12-22-38)40-32-34-46(57(4,5)6)44(36-40)42-24-18-29-51-54(42)61-50-28-15-14-27-49(50)60-51/h9-38H,1-8H3;2*7-36H,1-6H3.
What are the key properties of [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?
[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 has a molecular weight of 2553.47 g/mol, XLogP of 38.32, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159656169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).