4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene

C19H17NOS2 — CID 10947783

IUPAC4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene
SMILESCC1(C)N=C(c2ccccc2)SC12OC(c1ccccc1)=CS2
InChIInChI=1S/C19H17NOS2/c1-18(2)19(23-17(20-18)15-11-7-4-8-12-15)21-16(13-22-19)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyUKHDKAFARSONKH-UHFFFAOYSA-N
MW339.49 g/mol
LogP5.37
Rot. Bonds2

About 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene

4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene (PubChem CID 10947783) has the molecular formula C19H17NOS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene.

Molecular Properties

Compound Name4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene
PubChem CID10947783
Molecular FormulaC19H17NOS2
Molecular Weight339.49 g/mol
Exact Mass339.08
IUPAC Name4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene
SMILESCC1(C)N=C(c2ccccc2)SC12OC(c1ccccc1)=CS2
InChIInChI=1S/C19H17NOS2/c1-18(2)19(23-17(20-18)15-11-7-4-8-12-15)21-16(13-22-19)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyUKHDKAFARSONKH-UHFFFAOYSA-N
XLogP5.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene with MolForge

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Related Compounds

4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene
CID 14908788
4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
CID 102236722
2-[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 140889232
(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 139069527
2-methyl-2,3-diphenylazirine
CID 13307627
2-methyl-5-phenyl-2-propyl-3H-1,3,4-thiadiazole
CID 4084826
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
4,4,5,5-tetramethyl-2-[3-[11-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]benzo[a]carbazol-9-yl]phenyl]-1,3-thiazole
CID 135250175
(2S)-1'-benzyl-3'-methyl-3,5-diphenylspiro[1,3,4-thiadiazole-2,2'-quinoxaline]
CID 139082766
2,2,5,5-tetramethyl-6-phenylpyridine
CID 58983184
2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole
CID 14342939
ethyl (4S)-4-methyl-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11831819

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene?
The IUPAC name of 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene (CID 10947783) is 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene.
What is the SMILES notation for 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene?
The canonical SMILES for 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene is CC1(C)N=C(c2ccccc2)SC12OC(c1ccccc1)=CS2.
What is the InChIKey of 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene?
The InChIKey is UKHDKAFARSONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS2/c1-18(2)19(23-17(20-18)15-11-7-4-8-12-15)21-16(13-22-19)14-9-5-3-6-10-14/h3-13H,1-2H3.
What are the key properties of 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene?
4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene has a molecular weight of 339.49 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene is sourced from PubChem (CID 10947783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).