8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione

C20H14N2O2S2 — CID 10894172

IUPAC8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione
SMILESO=C1NC(=S)NC(=O)C12C=C(c1ccccc1)SC(c1ccccc1)=C2
InChIInChI=1S/C20H14N2O2S2/c23-17-20(18(24)22-19(25)21-17)11-15(13-7-3-1-4-8-13)26-16(12-20)14-9-5-2-6-10-14/h1-12H,(H2,21,22,23,24,25)
InChIKeyHNXBCPOHHKUBPT-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.33
Rot. Bonds2

About 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione

8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione (PubChem CID 10894172) has the molecular formula C20H14N2O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione.

Molecular Properties

Compound Name8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione
PubChem CID10894172
Molecular FormulaC20H14N2O2S2
Molecular Weight378.48 g/mol
Exact Mass378.05
IUPAC Name8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione
SMILESO=C1NC(=S)NC(=O)C12C=C(c1ccccc1)SC(c1ccccc1)=C2
InChIInChI=1S/C20H14N2O2S2/c23-17-20(18(24)22-19(25)21-17)11-15(13-7-3-1-4-8-13)26-16(12-20)14-9-5-2-6-10-14/h1-12H,(H2,21,22,23,24,25)
InChIKeyHNXBCPOHHKUBPT-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran
CID 10436533
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CID 162715481
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine
CID 71322947
2,6-bis[4-(4-phenylphenyl)phenyl]-1,4-dithiine
CID 58816776
5-phenyl-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
CID 11358458
1-(2,4,6-triphenylthiopyran-4-yl)piperidine
CID 71328944
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793026
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
CID 131882586
CID 131882586
3,3,5-triphenyl-1H-pyrrol-2-one
CID 14668218

Frequently Asked Questions

What is the IUPAC name of 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione?
The IUPAC name of 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione (CID 10894172) is 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione.
What is the SMILES notation for 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione?
The canonical SMILES for 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione is O=C1NC(=S)NC(=O)C12C=C(c1ccccc1)SC(c1ccccc1)=C2.
What is the InChIKey of 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione?
The InChIKey is HNXBCPOHHKUBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S2/c23-17-20(18(24)22-19(25)21-17)11-15(13-7-3-1-4-8-13)26-16(12-20)14-9-5-2-6-10-14/h1-12H,(H2,21,22,23,24,25).
What are the key properties of 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione?
8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione has a molecular weight of 378.48 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione is sourced from PubChem (CID 10894172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).