iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine

C15H20IrN- — CID 58983120

IUPACiridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine
SMILESCC1(C)CCC(C)(C)C(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C15H20N.Ir/c1-14(2)10-11-15(3,4)16-13(14)12-8-6-5-7-9-12;/h5-8H,10-11H2,1-4H3;/q-1;
InChIKeyBPKCYOLFYTZRCP-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.87
Rot. Bonds1

About iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine

iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine (PubChem CID 58983120) has the molecular formula C15H20IrN- and a molecular weight of 406.55 g/mol. Its IUPAC name is iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine.

Molecular Properties

Compound Nameiridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine
PubChem CID58983120
Molecular FormulaC15H20IrN-
Molecular Weight406.55 g/mol
Exact Mass407.12
IUPAC Nameiridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine
SMILESCC1(C)CCC(C)(C)C(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C15H20N.Ir/c1-14(2)10-11-15(3,4)16-13(14)12-8-6-5-7-9-12;/h5-8H,10-11H2,1-4H3;/q-1;
InChIKeyBPKCYOLFYTZRCP-UHFFFAOYSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.87
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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Related Compounds

(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
iridium;N-methyl-1-(2,3,3-trimethyl-7H-inden-7-id-1-yl)ethanimine
CID 57687935
5,5-dimethyl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3,4-dihydro-2H-pyridine;iridium
CID 58982954
5,5-dimethyl-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3,4-dihydro-2H-pyridine;iridium
CID 58982973
6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium
CID 58982975
2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium
CID 58983036
5,5-dimethyl-6-phenyl-3,4-dihydro-2H-pyridine;iridium
CID 58983258
1,1-Dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole
CID 123745720
1,1-Dimethyl-2,3,4,6-tetrahydrocarbazole
CID 175120340

Frequently Asked Questions

What is the IUPAC name of iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine?
The IUPAC name of iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine (CID 58983120) is iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine.
What is the SMILES notation for iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine?
The canonical SMILES for iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine is CC1(C)CCC(C)(C)C(c2[c-]cccc2)=N1.[Ir].
What is the InChIKey of iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine?
The InChIKey is BPKCYOLFYTZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N.Ir/c1-14(2)10-11-15(3,4)16-13(14)12-8-6-5-7-9-12;/h5-8H,10-11H2,1-4H3;/q-1;.
What are the key properties of iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine?
iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine has a molecular weight of 406.55 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2,2,5,5-tetramethyl-6-phenyl-3,4-dihydropyridine is sourced from PubChem (CID 58983120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).