iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine

C33H30IrN2-2 — CID 162709347

IUPACiridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.[Ir]
InChIInChI=1S/C20H18N.C13H12N.Ir/c1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;/h3-9,11-15H,1-2H3;3-6,8-9H,1-2H3;/q2*-1;
InChIKeyPABFTUPSNTVQDF-UHFFFAOYSA-N
MW646.83 g/mol
LogP8.04
Rot. Bonds4

About iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine

iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine (PubChem CID 162709347) has the molecular formula C33H30IrN2-2 and a molecular weight of 646.83 g/mol. Its IUPAC name is iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine.

Molecular Properties

Compound Nameiridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine
PubChem CID162709347
Molecular FormulaC33H30IrN2-2
Molecular Weight646.83 g/mol
Exact Mass647.20
IUPAC Nameiridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.[Ir]
InChIInChI=1S/C20H18N.C13H12N.Ir/c1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;/h3-9,11-15H,1-2H3;3-6,8-9H,1-2H3;/q2*-1;
InChIKeyPABFTUPSNTVQDF-UHFFFAOYSA-N
XLogP8.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(4-methylbenzene-6-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162709019
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium;2-(4-methylbenzene-6-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162708967
tetrakis(iridium);4-methyl-2-(4-methylbenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;tetrakis(2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine)
CID 163932657
iridium;4-(2-phenylpropan-2-yl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine
CID 162708178
iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162707675
4-tert-butyl-2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162710292
4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 162707687
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-phenylpropan-2-yl)pyridine;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 162708497
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
iridium;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide
CID 162708983

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine?
The IUPAC name of iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine (CID 162709347) is iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine.
What is the SMILES notation for iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine?
The canonical SMILES for iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine is CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.[Ir].
What is the InChIKey of iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine?
The InChIKey is PABFTUPSNTVQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.C13H12N.Ir/c1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;/h3-9,11-15H,1-2H3;3-6,8-9H,1-2H3;/q2*-1;.
What are the key properties of iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine?
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine has a molecular weight of 646.83 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-4-(2-phenylpropan-2-yl)pyridine is sourced from PubChem (CID 162709347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).