iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine

C28H21IrN3-2 — CID 166035043

IUPACiridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
SMILESCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H13N2.C11H8N.Ir/c1-13-7-8-16(19-12-13)15-9-10-18-17(11-15)14-5-3-2-4-6-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-5,7-12H,1H3;1-6,8-9H;/q2*-1;
InChIKeyLJZYYUYXZNXULH-UHFFFAOYSA-N
MW591.71 g/mol
LogP6.47
Rot. Bonds3

About iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine

iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine (PubChem CID 166035043) has the molecular formula C28H21IrN3-2 and a molecular weight of 591.71 g/mol. Its IUPAC name is iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
PubChem CID166035043
Molecular FormulaC28H21IrN3-2
Molecular Weight591.71 g/mol
Exact Mass592.14
IUPAC Nameiridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
SMILESCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H13N2.C11H8N.Ir/c1-13-7-8-16(19-12-13)15-9-10-18-17(11-15)14-5-3-2-4-6-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-5,7-12H,1H3;1-6,8-9H;/q2*-1;
InChIKeyLJZYYUYXZNXULH-UHFFFAOYSA-N
XLogP6.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 56.47
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

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-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412527
iridium;5-methyl-2-phenylpyridine;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162710156
5-(4-fluoro-2-methylphenyl)-2-phenylpyridine;tris(iridium);4-(4-methylphenyl)-2-phenylpyridine;tris(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine
CID 158360388
iridium;5-methyl-2-phenylpyridine;6-pyridin-2-ylpyrimidin-1-ide-2,4-dione
CID 171434089
pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
CID 159414504
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
2,4-dimethyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tetrakis(iridium);2-methyl-6-(2-phenyl-4-pyridinyl)pyridine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 158714424
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

Frequently Asked Questions

What is the IUPAC name of iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine?
The IUPAC name of iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine (CID 166035043) is iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine.
What is the SMILES notation for iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine?
The canonical SMILES for iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine is Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)nc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine?
The InChIKey is LJZYYUYXZNXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N2.C11H8N.Ir/c1-13-7-8-16(19-12-13)15-9-10-18-17(11-15)14-5-3-2-4-6-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-5,7-12H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine?
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine has a molecular weight of 591.71 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine is sourced from PubChem (CID 166035043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).