iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine

C30H24IrN2-2 — CID 58435058

IUPACiridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C18H14N.C12H10N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h2-10,12-13H,1H3;2-7,9H,1H3;/q2*-1;
InChIKeyNWRGXBRKNFFSSB-UHFFFAOYSA-N
MW604.75 g/mol
LogP7.38
Rot. Bonds3

About iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine

iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine (PubChem CID 58435058) has the molecular formula C30H24IrN2-2 and a molecular weight of 604.75 g/mol. Its IUPAC name is iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine.

Molecular Properties

Compound Nameiridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
PubChem CID58435058
Molecular FormulaC30H24IrN2-2
Molecular Weight604.75 g/mol
Exact Mass605.16
IUPAC Nameiridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C18H14N.C12H10N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h2-10,12-13H,1H3;2-7,9H,1H3;/q2*-1;
InChIKeyNWRGXBRKNFFSSB-UHFFFAOYSA-N
XLogP7.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 57.38
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;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
4-ethyl-5-phenyl-2-phenylpyridine;tris(iridium);4-methyl-5-naphthalen-2-yl-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-methyl-6-phenylpyridine);2-phenylpyridine
CID 160700604
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
iridium;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-methyl-5-phenyl-2-phenylpyridine
CID 140847681
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
tetrakis(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine;tris(2-phenylpyridine)
CID 158811687
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
iridium(3+);4-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine)
CID 59547003
iridium(3+);5-phenyl-2-phenyl-4-(2,2,2-trideuterioethyl)pyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine)
CID 59547058
4-ethyl-2,5-diphenylpyridine;4-ethyl-5-phenyl-2-phenylpyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine);molecular hydrogen;trifluoromethanesulfonate
CID 157285121

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine?
The IUPAC name of iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine (CID 58435058) is iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine.
What is the SMILES notation for iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine?
The canonical SMILES for iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine?
The InChIKey is NWRGXBRKNFFSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.C12H10N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h2-10,12-13H,1H3;2-7,9H,1H3;/q2*-1;.
What are the key properties of iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine?
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine has a molecular weight of 604.75 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine is sourced from PubChem (CID 58435058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).