3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium

C14H16IrN- — CID 58983166

IUPAC3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium
SMILESCCC1(C)C=CC(c2[c-]cccc2)=NC1.[Ir]
InChIInChI=1S/C14H16N.Ir/c1-3-14(2)10-9-13(15-11-14)12-7-5-4-6-8-12;/h4-7,9-10H,3,11H2,1-2H3;/q-1;
InChIKeyQMFYDPVAKCQGMQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.26
Rot. Bonds2

About 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium

3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium (PubChem CID 58983166) has the molecular formula C14H16IrN- and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium.

Molecular Properties

Compound Name3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium
PubChem CID58983166
Molecular FormulaC14H16IrN-
Molecular Weight390.51 g/mol
Exact Mass391.09
IUPAC Name3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium
SMILESCCC1(C)C=CC(c2[c-]cccc2)=NC1.[Ir]
InChIInChI=1S/C14H16N.Ir/c1-3-14(2)10-9-13(15-11-14)12-7-5-4-6-8-12;/h4-7,9-10H,3,11H2,1-2H3;/q-1;
InChIKeyQMFYDPVAKCQGMQ-UHFFFAOYSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.26
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

5,5-difluoro-6-phenyl-3,4-dihydro-2H-pyridine;5,5-dimethyl-6-phenyl-3,4-dihydropyridin-2-one;3-ethyl-3-methyl-6-phenyl-2H-pyridine;pentakis(4-hydroxypent-3-en-2-ylideneoxidanium);pentakis(iridium);2,2,5,5-tetramethyl-4-phenyl-1,3-oxazin-6-one;3,3,6,6-tetramethyl-5-phenyl-1,4-oxazin-2-one
CID 160644032
iridium;phenylbenzene
CID 58599975
4,4-dimethyl-1-phenyl-3H-isoquinoline;iridium
CID 58983011
ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
4,4-dimethyl-2-phenyl-1,3-thiazin-5-one;iridium
CID 58983176
lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole
CID 134844683
3,3-dimethyl-2-phenylindole;iridium
CID 21014664
1,1-dimethyl-3-phenylisoindole;iridium
CID 21063359
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
CID 172511088
iridium;3,3,4,4-tetramethyl-2-phenylquinoline
CID 58982990

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium?
The IUPAC name of 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium (CID 58983166) is 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium.
What is the SMILES notation for 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium?
The canonical SMILES for 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium is CCC1(C)C=CC(c2[c-]cccc2)=NC1.[Ir].
What is the InChIKey of 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium?
The InChIKey is QMFYDPVAKCQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N.Ir/c1-3-14(2)10-9-13(15-11-14)12-7-5-4-6-8-12;/h4-7,9-10H,3,11H2,1-2H3;/q-1;.
What are the key properties of 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium?
3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium has a molecular weight of 390.51 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-6-phenyl-2H-pyridine;iridium is sourced from PubChem (CID 58983166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).