iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine

C19H16IrN- — CID 59294837

IUPACiridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir]
InChIInChI=1S/C19H16N.Ir/c1-14-6-9-16(10-7-14)17-4-3-5-18(12-17)19-11-8-15(2)13-20-19;/h3-4,6-13H,1-2H3;/q-1;
InChIKeyCXCBZSNPGBQBCI-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.83
Rot. Bonds2

About iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine

iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine (PubChem CID 59294837) has the molecular formula C19H16IrN- and a molecular weight of 450.56 g/mol. Its IUPAC name is iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nameiridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
PubChem CID59294837
Molecular FormulaC19H16IrN-
Molecular Weight450.56 g/mol
Exact Mass451.09
IUPAC Nameiridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir]
InChIInChI=1S/C19H16N.Ir/c1-14-6-9-16(10-7-14)17-4-3-5-18(12-17)19-11-8-15(2)13-20-19;/h3-4,6-13H,1-2H3;/q-1;
InChIKeyCXCBZSNPGBQBCI-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.83
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

2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
CID 140591636
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
iridium;5-methyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602165
tris(iridium);bis(2-(3-methylbenzene-6-id-1-yl)-5-phenylpyridine);bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
CID 158490047
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 58239768
iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 172506604
2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 158946315
5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;iridium;iridium(3+)
CID 160652235
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4,4,4-trifluoro-3-methyl-1-pyrazol-1-ylbutan-2-ol
CID 148703950
2-[3-(4-dibenzofuran-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 153423461
iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 164791666

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine (CID 59294837) is iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine is Cc1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir].
What is the InChIKey of iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine?
The InChIKey is CXCBZSNPGBQBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.Ir/c1-14-6-9-16(10-7-14)17-4-3-5-18(12-17)19-11-8-15(2)13-20-19;/h3-4,6-13H,1-2H3;/q-1;.
What are the key properties of iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine?
iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine has a molecular weight of 450.56 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 59294837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).