3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene

C20H26N2S4 — CID 21353438

IUPAC3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene
SMILESc1cc2nc(c1)CSCCCSCc1cccc(n1)CSCCCSC2
InChIInChI=1S/C20H26N2S4/c1-5-17-13-23-9-3-11-25-15-19-7-2-8-20(22-19)16-26-12-4-10-24-14-18(6-1)21-17/h1-2,5-8H,3-4,9-16H2
InChIKeyQQQJDGGPZQXLRK-UHFFFAOYSA-N
MW422.71 g/mol
LogP5.90
Rot. Bonds

About 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene

3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene (PubChem CID 21353438) has the molecular formula C20H26N2S4 and a molecular weight of 422.71 g/mol. Its IUPAC name is 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene.

Molecular Properties

Compound Name3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene
PubChem CID21353438
Molecular FormulaC20H26N2S4
Molecular Weight422.71 g/mol
Exact Mass422.10
IUPAC Name3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene
SMILESc1cc2nc(c1)CSCCCSCc1cccc(n1)CSCCCSC2
InChIInChI=1S/C20H26N2S4/c1-5-17-13-23-9-3-11-25-15-19-7-2-8-20(22-19)16-26-12-4-10-24-14-18(6-1)21-17/h1-2,5-8H,3-4,9-16H2
InChIKeyQQQJDGGPZQXLRK-UHFFFAOYSA-N
XLogP5.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.71
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene with MolForge

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Related Compounds

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CID 20445
2-Methyl-6-[3-(phenylthio)prop-1-yn-1-yl]pyridine
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CID 300754
Pyridine, 2,2'-dithiodimethylenedi-
CID 200479
Pyridine, 2,2'-(dithiobis(2,1-ethanediyl))di-, dihydrochloride
CID 3088792
Pyridine, 2,2'-(dithiodimethylene)bis(6-chloro-
CID 3088794
15,16-Diazatricyclo(9.3.1.14,8)hexadeca-1(15),4,6,8(16),11,13-hexaene
CID 138775
2,6-Bis(methylthiomethyl)pyridine
CID 428020
Bis[2-(2-pyridyl)ethyl]disulfide
CID 3088793
2,6-Bis(ethylthiomethyl)pyridine
CID 15911202
2,2'-[Ethane-1,2-diylbis(sulfanediylmethylene)]dipyridine
CID 338378
2,2'-Bipyridine-6,6'-bis(carbothioamide)
CID 15543284

Frequently Asked Questions

What is the IUPAC name of 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene?
The IUPAC name of 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene (CID 21353438) is 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene.
What is the SMILES notation for 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene?
The canonical SMILES for 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene is c1cc2nc(c1)CSCCCSCc1cccc(n1)CSCCCSC2.
What is the InChIKey of 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene?
The InChIKey is QQQJDGGPZQXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2S4/c1-5-17-13-23-9-3-11-25-15-19-7-2-8-20(22-19)16-26-12-4-10-24-14-18(6-1)21-17/h1-2,5-8H,3-4,9-16H2.
What are the key properties of 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene?
3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene has a molecular weight of 422.71 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,15,19-tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene is sourced from PubChem (CID 21353438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).