4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine

C38H30IrN2O-2 — CID 162710274

IUPAC4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCc1ccc(-c2[c-]ccc3c2oc2cc(C)ccc23)nc1.Cc1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.[Ir]
InChIInChI=1S/C19H14NO.C19H16N.Ir/c1-12-6-8-14-15-4-3-5-16(19(15)21-18(14)10-12)17-9-7-13(2)11-20-17;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;/h3-4,6-11H,1-2H3;2-10,13-14H,12H2,1H3;/q2*-1;
InChIKeyXYGRBNYYKHRHRB-UHFFFAOYSA-N
MW722.89 g/mol
LogP9.51
Rot. Bonds4

About 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine

4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 162710274) has the molecular formula C38H30IrN2O-2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

Compound Name4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
PubChem CID162710274
Molecular FormulaC38H30IrN2O-2
Molecular Weight722.89 g/mol
Exact Mass723.20
IUPAC Name4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCc1ccc(-c2[c-]ccc3c2oc2cc(C)ccc23)nc1.Cc1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.[Ir]
InChIInChI=1S/C19H14NO.C19H16N.Ir/c1-12-6-8-14-15-4-3-5-16(19(15)21-18(14)10-12)17-9-7-13(2)11-20-17;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;/h3-4,6-11H,1-2H3;2-10,13-14H,12H2,1H3;/q2*-1;
InChIKeyXYGRBNYYKHRHRB-UHFFFAOYSA-N
XLogP9.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162707719
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;4-methyl-2-phenyl-5-propan-2-ylpyridine
CID 164797600
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 163719689
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium
CID 162707093
2-(3H-dibenzofuran-3-id-2-yl)-5-methyl-4-(pyridin-4-ylmethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162710128
4-[dideuterio(phenyl)methyl]-2-[3-(4-fluorophenyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine
CID 162710409
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708739
2-(2,6-dimethylphenyl)-8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;5-methyl-2-phenylpyridine
CID 168827885
4-[dideuterio(phenyl)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 162708829

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The IUPAC name of 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 162710274) is 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine.
What is the SMILES notation for 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The canonical SMILES for 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine is Cc1ccc(-c2[c-]ccc3c2oc2cc(C)ccc23)nc1.Cc1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.[Ir].
What is the InChIKey of 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The InChIKey is XYGRBNYYKHRHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NO.C19H16N.Ir/c1-12-6-8-14-15-4-3-5-16(19(15)21-18(14)10-12)17-9-7-13(2)11-20-17;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;/h3-4,6-11H,1-2H3;2-10,13-14H,12H2,1H3;/q2*-1;.
What are the key properties of 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 722.89 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 162710274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).