3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

C26H24S2 — CID 126718030

IUPAC3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESCS1(C)c2ccccc2-c2cc3c4c(ccc3cc21)-c1ccccc1S4(C)C
InChIInChI=1S/C26H24S2/c1-27(2)23-11-7-6-10-19(23)22-16-21-17(15-25(22)27)13-14-20-18-9-5-8-12-24(18)28(3,4)26(20)21/h5-16H,1-4H3
InChIKeySRAFQJQRMAFELA-UHFFFAOYSA-N
MW400.61 g/mol
LogP7.76
Rot. Bonds

About 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (PubChem CID 126718030) has the molecular formula C26H24S2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
PubChem CID126718030
Molecular FormulaC26H24S2
Molecular Weight400.61 g/mol
Exact Mass400.13
IUPAC Name3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESCS1(C)c2ccccc2-c2cc3c4c(ccc3cc21)-c1ccccc1S4(C)C
InChIInChI=1S/C26H24S2/c1-27(2)23-11-7-6-10-19(23)22-16-21-17(15-25(22)27)13-14-20-18-9-5-8-12-24(18)28(3,4)26(20)21/h5-16H,1-4H3
InChIKeySRAFQJQRMAFELA-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The IUPAC name of 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (CID 126718030) is 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is CS1(C)c2ccccc2-c2cc3c4c(ccc3cc21)-c1ccccc1S4(C)C.
What is the InChIKey of 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The InChIKey is SRAFQJQRMAFELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24S2/c1-27(2)23-11-7-6-10-19(23)22-16-21-17(15-25(22)27)13-14-20-18-9-5-8-12-24(18)28(3,4)26(20)21/h5-16H,1-4H3.
What are the key properties of 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene has a molecular weight of 400.61 g/mol, XLogP of 7.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,16,16-tetramethyl-3λ4,16λ4-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 126718030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).