3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene

C24H20S2 — CID 142318096

IUPAC3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2sc3c4c(sc3c21)-c1ccccc1C4(C)C
InChIInChI=1S/C24H20S2/c1-23(2)15-11-7-5-9-13(15)19-17(23)21-22(25-19)18-20(26-21)14-10-6-8-12-16(14)24(18,3)4/h5-12H,1-4H3
InChIKeyFOBVNQYGZQBCHP-UHFFFAOYSA-N
MW372.56 g/mol
LogP7.58
Rot. Bonds

About 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene

3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene (PubChem CID 142318096) has the molecular formula C24H20S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
PubChem CID142318096
Molecular FormulaC24H20S2
Molecular Weight372.56 g/mol
Exact Mass372.10
IUPAC Name3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2sc3c4c(sc3c21)-c1ccccc1C4(C)C
InChIInChI=1S/C24H20S2/c1-23(2)15-11-7-5-9-13(15)19-17(23)21-22(25-19)18-20(26-21)14-10-6-8-12-16(14)24(18,3)4/h5-12H,1-4H3
InChIKeyFOBVNQYGZQBCHP-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene with MolForge

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Related Compounds

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CID 118602496
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CID 164956189
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CID 155467276
15,15-dimethyl-3-naphthalen-2-yl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602369
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661048
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
ethane;1,1,2,3-tetramethylindene
CID 90797870
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
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CID 164804096
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CID 10832973

Frequently Asked Questions

What is the IUPAC name of 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
The IUPAC name of 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene (CID 142318096) is 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene.
What is the SMILES notation for 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
The canonical SMILES for 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene is CC1(C)c2ccccc2-c2sc3c4c(sc3c21)-c1ccccc1C4(C)C.
What is the InChIKey of 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
The InChIKey is FOBVNQYGZQBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20S2/c1-23(2)15-11-7-5-9-13(15)19-17(23)21-22(25-19)18-20(26-21)14-10-6-8-12-16(14)24(18,3)4/h5-12H,1-4H3.
What are the key properties of 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene has a molecular weight of 372.56 g/mol, XLogP of 7.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene is sourced from PubChem (CID 142318096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).