hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane

C33H30O2S4Si2 — CID 132991922

IUPAChydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane
SMILESC[Si](C)(O)c1ccc(-c2cc3c(s2)-c2sc(-c4ccc([Si](C)(C)O)s4)cc2C3(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C33H30O2S4Si2/c1-40(2,34)29-17-15-25(36-29)27-19-23-31(38-27)32-24(20-28(39-32)26-16-18-30(37-26)41(3,4)35)33(23,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-20,34-35H,1-4H3
InChIKeyUCTCTRSIUFGGKG-UHFFFAOYSA-N
MW643.04 g/mol
LogP8.44
Rot. Bonds6

About hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane

hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane (PubChem CID 132991922) has the molecular formula C33H30O2S4Si2 and a molecular weight of 643.04 g/mol. Its IUPAC name is hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane
PubChem CID132991922
Molecular FormulaC33H30O2S4Si2
Molecular Weight643.04 g/mol
Exact Mass642.07
IUPAC Namehydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane
SMILESC[Si](C)(O)c1ccc(-c2cc3c(s2)-c2sc(-c4ccc([Si](C)(C)O)s4)cc2C3(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C33H30O2S4Si2/c1-40(2,34)29-17-15-25(36-29)27-19-23-31(38-27)32-24(20-28(39-32)26-16-18-30(37-26)41(3,4)35)33(23,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-20,34-35H,1-4H3
InChIKeyUCTCTRSIUFGGKG-UHFFFAOYSA-N
XLogP8.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.04
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane with MolForge

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Related Compounds

6,15-dimethyl-9,9,18,18-tetraphenyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 145023009
[5-[3-[5-[3-[5-[5-[5-[2,5-bis[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 176528085
2-[9,9-bis(4-methylphenyl)fluoren-2-yl]-4,4-bis(4-methylphenyl)indeno[1,2-b]thiophene
CID 102297463
2-[5-[10-[5-(dicyanomethylideneamino)thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]iminopropanedinitrile
CID 165001263
[7-(9,9-diphenyl-7-trimethylsilylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-trimethylsilane
CID 102177279
[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10700156
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
(2,5-diphenylthiophen-3-yl)oxy-trimethylsilane
CID 11045581
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803

Frequently Asked Questions

What is the IUPAC name of hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane?
The IUPAC name of hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane (CID 132991922) is hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane.
What is the SMILES notation for hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane?
The canonical SMILES for hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane is C[Si](C)(O)c1ccc(-c2cc3c(s2)-c2sc(-c4ccc([Si](C)(C)O)s4)cc2C3(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane?
The InChIKey is UCTCTRSIUFGGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O2S4Si2/c1-40(2,34)29-17-15-25(36-29)27-19-23-31(38-27)32-24(20-28(39-32)26-16-18-30(37-26)41(3,4)35)33(23,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-20,34-35H,1-4H3.
What are the key properties of hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane?
hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane has a molecular weight of 643.04 g/mol, XLogP of 8.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[5-[10-[5-[hydroxy(dimethyl)silyl]thiophen-2-yl]-7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-dimethylsilane is sourced from PubChem (CID 132991922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).