2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium

C13H16IrN- — CID 58983036

IUPAC2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium
SMILESCC1(C)CCCC(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C13H16N.Ir/c1-13(2)10-6-9-12(14-13)11-7-4-3-5-8-11;/h3-5,7H,6,9-10H2,1-2H3;/q-1;
InChIKeyWNDXEWFCCRUIEV-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.24
Rot. Bonds1

About 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium

2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium (PubChem CID 58983036) has the molecular formula C13H16IrN- and a molecular weight of 378.50 g/mol. Its IUPAC name is 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium.

Molecular Properties

Compound Name2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium
PubChem CID58983036
Molecular FormulaC13H16IrN-
Molecular Weight378.50 g/mol
Exact Mass379.09
IUPAC Name2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium
SMILESCC1(C)CCCC(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C13H16N.Ir/c1-13(2)10-6-9-12(14-13)11-7-4-3-5-8-11;/h3-5,7H,6,9-10H2,1-2H3;/q-1;
InChIKeyWNDXEWFCCRUIEV-UHFFFAOYSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium?
The IUPAC name of 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium (CID 58983036) is 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium.
What is the SMILES notation for 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium?
The canonical SMILES for 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium is CC1(C)CCCC(c2[c-]cccc2)=N1.[Ir].
What is the InChIKey of 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium?
The InChIKey is WNDXEWFCCRUIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N.Ir/c1-13(2)10-6-9-12(14-13)11-7-4-3-5-8-11;/h3-5,7H,6,9-10H2,1-2H3;/q-1;.
What are the key properties of 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium?
2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium has a molecular weight of 378.50 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium is sourced from PubChem (CID 58983036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).