1,10-dihydrophenothiazin-1-ide;iridium

C12H8IrNS- — CID 175152373

IUPAC1,10-dihydrophenothiazin-1-ide;iridium
SMILES[Ir].[c-]1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8NS.Ir/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h1-5,7-8,13H;/q-1;
InChIKeyKNYORDPFHIZJRN-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.69
Rot. Bonds

About 1,10-dihydrophenothiazin-1-ide;iridium

1,10-dihydrophenothiazin-1-ide;iridium (PubChem CID 175152373) has the molecular formula C12H8IrNS- and a molecular weight of 390.49 g/mol. Its IUPAC name is 1,10-dihydrophenothiazin-1-ide;iridium.

Molecular Properties

Compound Name1,10-dihydrophenothiazin-1-ide;iridium
PubChem CID175152373
Molecular FormulaC12H8IrNS-
Molecular Weight390.49 g/mol
Exact Mass391.00
IUPAC Name1,10-dihydrophenothiazin-1-ide;iridium
SMILES[Ir].[c-]1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8NS.Ir/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h1-5,7-8,13H;/q-1;
InChIKeyKNYORDPFHIZJRN-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenothiazine
CID 7108
Desmonomethylpromazine
CID 28315
10H-Phenothiazine, 2-(methylthio)-
CID 82096
Leucomethylene blue
CID 164695
4H-1,4-Benzothiazin-3-one
CID 21396
10-Methylphenothiazine
CID 71015
2H-1,4-Benzothiazine-3(4H)-thione
CID 773981
Phenothiazine 5,5-dioxide
CID 71024
N,alpha-Dimethyl-10H-phenothiazine-10-ethanamine
CID 169959
10-Methyl-3-phenothiazinamine
CID 717880
2,2-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine
CID 7084759
3-Fluoro-10H-phenothiazine
CID 242838

Frequently Asked Questions

What is the IUPAC name of 1,10-dihydrophenothiazin-1-ide;iridium?
The IUPAC name of 1,10-dihydrophenothiazin-1-ide;iridium (CID 175152373) is 1,10-dihydrophenothiazin-1-ide;iridium.
What is the SMILES notation for 1,10-dihydrophenothiazin-1-ide;iridium?
The canonical SMILES for 1,10-dihydrophenothiazin-1-ide;iridium is [Ir].[c-]1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 1,10-dihydrophenothiazin-1-ide;iridium?
The InChIKey is KNYORDPFHIZJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8NS.Ir/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h1-5,7-8,13H;/q-1;.
What are the key properties of 1,10-dihydrophenothiazin-1-ide;iridium?
1,10-dihydrophenothiazin-1-ide;iridium has a molecular weight of 390.49 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dihydrophenothiazin-1-ide;iridium is sourced from PubChem (CID 175152373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).