tris(1,10-dihydrophenothiazin-1-ide);zinc

C36H24N3S3Zn-3 — CID 175774608

IUPACtris(1,10-dihydrophenothiazin-1-ide);zinc
SMILES[Zn].[c-]1cccc2c1Nc1ccccc1S2.[c-]1cccc2c1Nc1ccccc1S2.[c-]1cccc2c1Nc1ccccc1S2
InChIInChI=1S/3C12H8NS.Zn/c3*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h3*1-5,7-8,13H;/q3*-1;
InChIKeyPJDSGUSPGSEIPF-UHFFFAOYSA-N
MW660.20 g/mol
LogP11.08
Rot. Bonds

About tris(1,10-dihydrophenothiazin-1-ide);zinc

tris(1,10-dihydrophenothiazin-1-ide);zinc (PubChem CID 175774608) has the molecular formula C36H24N3S3Zn-3 and a molecular weight of 660.20 g/mol. Its IUPAC name is tris(1,10-dihydrophenothiazin-1-ide);zinc.

Molecular Properties

Compound Nametris(1,10-dihydrophenothiazin-1-ide);zinc
PubChem CID175774608
Molecular FormulaC36H24N3S3Zn-3
Molecular Weight660.20 g/mol
Exact Mass658.04
IUPAC Nametris(1,10-dihydrophenothiazin-1-ide);zinc
SMILES[Zn].[c-]1cccc2c1Nc1ccccc1S2.[c-]1cccc2c1Nc1ccccc1S2.[c-]1cccc2c1Nc1ccccc1S2
InChIInChI=1S/3C12H8NS.Zn/c3*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h3*1-5,7-8,13H;/q3*-1;
InChIKeyPJDSGUSPGSEIPF-UHFFFAOYSA-N
XLogP11.08
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.20
LogP ≤ 511.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 175152373
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CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
boric acid;10H-phenothiazine
CID 159987394
1,10-dihydrophenoxazin-1-ide;zinc
CID 175796362
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
2-methyl-10H-phenothiazine
CID 611628
diphenylmethanone;10H-phenothiazine
CID 175143888
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol
CID 10375638

Frequently Asked Questions

What is the IUPAC name of tris(1,10-dihydrophenothiazin-1-ide);zinc?
The IUPAC name of tris(1,10-dihydrophenothiazin-1-ide);zinc (CID 175774608) is tris(1,10-dihydrophenothiazin-1-ide);zinc.
What is the SMILES notation for tris(1,10-dihydrophenothiazin-1-ide);zinc?
The canonical SMILES for tris(1,10-dihydrophenothiazin-1-ide);zinc is [Zn].[c-]1cccc2c1Nc1ccccc1S2.[c-]1cccc2c1Nc1ccccc1S2.[c-]1cccc2c1Nc1ccccc1S2.
What is the InChIKey of tris(1,10-dihydrophenothiazin-1-ide);zinc?
The InChIKey is PJDSGUSPGSEIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8NS.Zn/c3*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h3*1-5,7-8,13H;/q3*-1;.
What are the key properties of tris(1,10-dihydrophenothiazin-1-ide);zinc?
tris(1,10-dihydrophenothiazin-1-ide);zinc has a molecular weight of 660.20 g/mol, XLogP of 11.08, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,10-dihydrophenothiazin-1-ide);zinc is sourced from PubChem (CID 175774608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).