9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene

C22H20S2Si2 — CID 123772289

IUPAC9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene
SMILESC[Si]1(C)c2cc3cc4c(cc3cc2-c2sccc21)[Si](C)(C)c1ccsc1-4
InChIInChI=1S/C22H20S2Si2/c1-25(2)17-5-7-23-21(17)15-9-14-12-20-16(10-13(14)11-19(15)25)22-18(6-8-24-22)26(20,3)4/h5-12H,1-4H3
InChIKeyNABODHCCAAESHR-UHFFFAOYSA-N
MW404.71 g/mol
LogP4.57
Rot. Bonds

About 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene

9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene (PubChem CID 123772289) has the molecular formula C22H20S2Si2 and a molecular weight of 404.71 g/mol. Its IUPAC name is 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene.

Molecular Properties

Compound Name9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene
PubChem CID123772289
Molecular FormulaC22H20S2Si2
Molecular Weight404.71 g/mol
Exact Mass404.05
IUPAC Name9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene
SMILESC[Si]1(C)c2cc3cc4c(cc3cc2-c2sccc21)[Si](C)(C)c1ccsc1-4
InChIInChI=1S/C22H20S2Si2/c1-25(2)17-5-7-23-21(17)15-9-14-12-20-16(10-13(14)11-19(15)25)22-18(6-8-24-22)26(20,3)4/h5-12H,1-4H3
InChIKeyNABODHCCAAESHR-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene?
The IUPAC name of 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene (CID 123772289) is 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene.
What is the SMILES notation for 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene?
The canonical SMILES for 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene is C[Si]1(C)c2cc3cc4c(cc3cc2-c2sccc21)[Si](C)(C)c1ccsc1-4.
What is the InChIKey of 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene?
The InChIKey is NABODHCCAAESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20S2Si2/c1-25(2)17-5-7-23-21(17)15-9-14-12-20-16(10-13(14)11-19(15)25)22-18(6-8-24-22)26(20,3)4/h5-12H,1-4H3.
What are the key properties of 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene?
9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene has a molecular weight of 404.71 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,20,20-tetramethyl-5,16-dithia-9,20-disilahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene is sourced from PubChem (CID 123772289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).