4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one

C20H15N3OS3 — CID 2814257

IUPAC4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
SMILESO=C1CSC2(SC(c3cccs3)=NN2c2ccccc2)N1c1ccccc1
InChIInChI=1S/C20H15N3OS3/c24-18-14-26-20(22(18)15-8-3-1-4-9-15)23(16-10-5-2-6-11-16)21-19(27-20)17-12-7-13-25-17/h1-13H,14H2
InChIKeyKVENFAQWEZOSEW-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.05
Rot. Bonds3

About 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one

4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one (PubChem CID 2814257) has the molecular formula C20H15N3OS3 and a molecular weight of 409.56 g/mol. Its IUPAC name is 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one.

Molecular Properties

Compound Name4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
PubChem CID2814257
Molecular FormulaC20H15N3OS3
Molecular Weight409.56 g/mol
Exact Mass409.04
IUPAC Name4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
SMILESO=C1CSC2(SC(c3cccs3)=NN2c2ccccc2)N1c1ccccc1
InChIInChI=1S/C20H15N3OS3/c24-18-14-26-20(22(18)15-8-3-1-4-9-15)23(16-10-5-2-6-11-16)21-19(27-20)17-12-7-13-25-17/h1-13H,14H2
InChIKeyKVENFAQWEZOSEW-UHFFFAOYSA-N
XLogP5.05
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,9-diphenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
CID 4136932
(5S,7E)-7-benzylidene-4-(4-nitrophenyl)-9-phenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
CID 7173693
2-acetyl-4-(4-chlorophenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
CID 2816190
(5S)-7-benzylidene-4-[4-[hydroxy(oxido)amino]phenyl]-9-phenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
CID 163165151
7-[(4-bromophenyl)methylidene]-4,9-diphenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
CID 3773945
8-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-phenyl-4-(1,3-thiazol-2-yl)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one
CID 10389588
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2817032
1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
ethyl (5R,7Z)-4-(4-methylphenyl)-8-oxo-9-phenyl-7-(thiophen-2-ylmethylidene)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxylate
CID 92947543
5-phenyl-3-thiophen-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 626864

Frequently Asked Questions

What is the IUPAC name of 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one?
The IUPAC name of 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one (CID 2814257) is 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one.
What is the SMILES notation for 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one?
The canonical SMILES for 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one is O=C1CSC2(SC(c3cccs3)=NN2c2ccccc2)N1c1ccccc1.
What is the InChIKey of 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one?
The InChIKey is KVENFAQWEZOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS3/c24-18-14-26-20(22(18)15-8-3-1-4-9-15)23(16-10-5-2-6-11-16)21-19(27-20)17-12-7-13-25-17/h1-13H,14H2.
What are the key properties of 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one?
4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one has a molecular weight of 409.56 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diphenyl-2-thiophen-2-yl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one is sourced from PubChem (CID 2814257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).