3,5-dimethyl-2-phenylpyrazine;iridium

C12H11IrN2- — CID 58894530

IUPAC3,5-dimethyl-2-phenylpyrazine;iridium
SMILESCc1cnc(-c2[c-]cccc2)c(C)n1.[Ir]
InChIInChI=1S/C12H11N2.Ir/c1-9-8-13-12(10(2)14-9)11-6-4-3-5-7-11;/h3-6,8H,1-2H3;/q-1;
InChIKeyOETLOSSAVVPVIS-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.56
Rot. Bonds1

About 3,5-dimethyl-2-phenylpyrazine;iridium

3,5-dimethyl-2-phenylpyrazine;iridium (PubChem CID 58894530) has the molecular formula C12H11IrN2- and a molecular weight of 375.45 g/mol. Its IUPAC name is 3,5-dimethyl-2-phenylpyrazine;iridium.

Molecular Properties

Compound Name3,5-dimethyl-2-phenylpyrazine;iridium
PubChem CID58894530
Molecular FormulaC12H11IrN2-
Molecular Weight375.45 g/mol
Exact Mass376.06
IUPAC Name3,5-dimethyl-2-phenylpyrazine;iridium
SMILESCc1cnc(-c2[c-]cccc2)c(C)n1.[Ir]
InChIInChI=1S/C12H11N2.Ir/c1-9-8-13-12(10(2)14-9)11-6-4-3-5-7-11;/h3-6,8H,1-2H3;/q-1;
InChIKeyOETLOSSAVVPVIS-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyrazine;iridium;pentane-2,4-diol
CID 58894569
2,5-dimethyl-6-phenyl-3-phenylpyrazine;bis(iridium);3-methyl-5-phenyl-2-phenylpyrazine;bis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 158838229
iridium;phenylbenzene
CID 58599975
3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
CID 67283736
iridium;4-phenyl-1-phenylisoquinoline
CID 58240172
3,5-dimethyl-2-(7-naphthalen-2-yl-3H-naphthalen-3-id-2-yl)pyrazine;iridium;pentane-2,4-diol
CID 58461077
iridium;8-methyl-4-phenyl-3,7-phenanthroline
CID 168852706
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
iridium;4-methyl-1-phenylisoquinoline;2,2,5,5-tetramethyl-1,3,3a,4,6,6a-hexahydropentalene-1,6-diol
CID 170528016
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-4,5-diol;iridium;4-methyl-1-phenylisoquinoline
CID 170527732
2,4-bis[2-(4-methylphenyl)pyrimidin-5-yl]-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261700
2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261624

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-phenylpyrazine;iridium?
The IUPAC name of 3,5-dimethyl-2-phenylpyrazine;iridium (CID 58894530) is 3,5-dimethyl-2-phenylpyrazine;iridium.
What is the SMILES notation for 3,5-dimethyl-2-phenylpyrazine;iridium?
The canonical SMILES for 3,5-dimethyl-2-phenylpyrazine;iridium is Cc1cnc(-c2[c-]cccc2)c(C)n1.[Ir].
What is the InChIKey of 3,5-dimethyl-2-phenylpyrazine;iridium?
The InChIKey is OETLOSSAVVPVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2.Ir/c1-9-8-13-12(10(2)14-9)11-6-4-3-5-7-11;/h3-6,8H,1-2H3;/q-1;.
What are the key properties of 3,5-dimethyl-2-phenylpyrazine;iridium?
3,5-dimethyl-2-phenylpyrazine;iridium has a molecular weight of 375.45 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-phenylpyrazine;iridium is sourced from PubChem (CID 58894530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).