iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine

C35H26IrN3O — CID 168787658

IUPACiridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine
SMILESCC(c1[c-]cccc1)(c1ccccn1)c1cccc(Oc2[c-]cccc2)n1.[Ir+3].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H18N2O.C11H8N.Ir/c1-24(19-11-4-2-5-12-19,21-15-8-9-18-25-21)22-16-10-17-23(26-22)27-20-13-6-3-7-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-11,13,15-18H,1H3;1-6,8-9H;/q-2;-1;+3
InChIKeyFUKBRDDTVFRNAD-UHFFFAOYSA-N
MW696.83 g/mol
LogP7.77
Rot. Bonds6

About iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine

iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine (PubChem CID 168787658) has the molecular formula C35H26IrN3O and a molecular weight of 696.83 g/mol. Its IUPAC name is iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine
PubChem CID168787658
Molecular FormulaC35H26IrN3O
Molecular Weight696.83 g/mol
Exact Mass697.17
IUPAC Nameiridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine
SMILESCC(c1[c-]cccc1)(c1ccccn1)c1cccc(Oc2[c-]cccc2)n1.[Ir+3].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H18N2O.C11H8N.Ir/c1-24(19-11-4-2-5-12-19,21-15-8-9-18-25-21)22-16-10-17-23(26-22)27-20-13-6-3-7-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-11,13,15-18H,1H3;1-6,8-9H;/q-2;-1;+3
InChIKeyFUKBRDDTVFRNAD-UHFFFAOYSA-N
XLogP7.77
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.83
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[9-(Pyridin-2-ylmethyl)xanthen-9-yl]methyl]pyridine
CID 15678630
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[4-(phenoxy)-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine;iridium;phenol
CID 58621418
5-[5-[2-[3-[(4-Tert-butyl-2-pyridinyl)oxy]butyl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-2-fluoro-3-methylpyridine
CID 130388488
7-(1-Azabicyclo[2.2.2]octan-3-yl)-2-(2-ethoxy-3-pyridinyl)-1'-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]spiro[6,8-dihydro-1,7-naphthyridine-5,4'-piperidine]
CID 172282867
6,6'-Di-t-butoxy terpyridine
CID 155819088
(R)-(+)-5'-(2-(2-Pyridyl)ethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]
CID 53884827
5'-(2-pyridin-2-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 53884828
2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 54216373
3-[6-[[6-(3-Isocyanobenzene-6-id-1-yl)-5-pyridin-4-yl-2-pyridinyl]oxy]-3-pyridin-4-yl-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)
CID 57739645
2-[4-Methoxy-6-[2-(4-methoxy-6-phenyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-yl]-2-phenyl-3-pyridinyl]pyrazine;platinum(2+)
CID 57739661
CID 57936831
CID 57936831
iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
CID 58106765

Frequently Asked Questions

What is the IUPAC name of iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine?
The IUPAC name of iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine (CID 168787658) is iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine.
What is the SMILES notation for iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine?
The canonical SMILES for iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine is CC(c1[c-]cccc1)(c1ccccn1)c1cccc(Oc2[c-]cccc2)n1.[Ir+3].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine?
The InChIKey is FUKBRDDTVFRNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O.C11H8N.Ir/c1-24(19-11-4-2-5-12-19,21-15-8-9-18-25-21)22-16-10-17-23(26-22)27-20-13-6-3-7-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-11,13,15-18H,1H3;1-6,8-9H;/q-2;-1;+3.
What are the key properties of iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine?
iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine has a molecular weight of 696.83 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);2-(phenoxy)-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine;2-phenylpyridine is sourced from PubChem (CID 168787658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).