iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine

C38H28IrN2-2 — CID 172506604

IUPACiridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
SMILESCc1ccc(-c2[c-]ccc(-c3cc4ccccc4c4ccccc34)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C26H18N.C12H10N.Ir/c1-18-13-14-26(27-17-18)21-9-6-8-19(15-21)25-16-20-7-2-3-10-22(20)23-11-4-5-12-24(23)25;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-8,10-17H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyUQSUZWSOVXGAIR-UHFFFAOYSA-N
MW704.87 g/mol
LogP9.69
Rot. Bonds3

About iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine

iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine (PubChem CID 172506604) has the molecular formula C38H28IrN2-2 and a molecular weight of 704.87 g/mol. Its IUPAC name is iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine.

Molecular Properties

Compound Nameiridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
PubChem CID172506604
Molecular FormulaC38H28IrN2-2
Molecular Weight704.87 g/mol
Exact Mass705.19
IUPAC Nameiridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
SMILESCc1ccc(-c2[c-]ccc(-c3cc4ccccc4c4ccccc34)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C26H18N.C12H10N.Ir/c1-18-13-14-26(27-17-18)21-9-6-8-19(15-21)25-16-20-7-2-3-10-22(20)23-11-4-5-12-24(23)25;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-8,10-17H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyUQSUZWSOVXGAIR-UHFFFAOYSA-N
XLogP9.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium;4-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506536
iridium;5-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 172506670
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine
CID 172506624
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
iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
CID 59294837
2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)isoquinoline;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);2-(4-methylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine
CID 160791944
iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
CID 161320383
iridium;5-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506804
4-(2,2-dimethylpropyl)-5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine
CID 172506655
2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261624
2-[3-(4-dibenzofuran-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 153423461

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?
The IUPAC name of iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine (CID 172506604) is iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine.
What is the SMILES notation for iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?
The canonical SMILES for iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine is Cc1ccc(-c2[c-]ccc(-c3cc4ccccc4c4ccccc34)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?
The InChIKey is UQSUZWSOVXGAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N.C12H10N.Ir/c1-18-13-14-26(27-17-18)21-9-6-8-19(15-21)25-16-20-7-2-3-10-22(20)23-11-4-5-12-24(23)25;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-8,10-17H,1H3;2-5,7-9H,1H3;/q2*-1;.
What are the key properties of iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?
iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine has a molecular weight of 704.87 g/mol, XLogP of 9.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine is sourced from PubChem (CID 172506604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).