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

C94H74Ir3N6-6 — CID 160700604

IUPAC4-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
SMILESCCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccc2ccccc2c1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H16N.C19H16N.C18H14N.2C12H10N.C11H8N.3Ir/c1-16-13-22(18-8-3-2-4-9-18)23-15-21(16)20-12-11-17-7-5-6-10-19(17)14-20;1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2-8,10-15H,1H3;3-11,13-14H,2H2,1H3;2-10,12-13H,1H3;2*2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;
InChIKeyALOPAQJNQXDNMK-UHFFFAOYSA-N
MW1864.32 g/mol
LogP23.24
Rot. Bonds10

About 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

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 (PubChem CID 160700604) has the molecular formula C94H74Ir3N6-6 and a molecular weight of 1864.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160700604
Molecular FormulaC94H74Ir3N6-6
Molecular Weight1864.32 g/mol
Exact Mass1865.49
IUPAC Name4-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
SMILESCCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccc2ccccc2c1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C22H16N.C19H16N.C18H14N.2C12H10N.C11H8N.3Ir/c1-16-13-22(18-8-3-2-4-9-18)23-15-21(16)20-12-11-17-7-5-6-10-19(17)14-20;1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2-8,10-15H,1H3;3-11,13-14H,2H2,1H3;2-10,12-13H,1H3;2*2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;
InChIKeyALOPAQJNQXDNMK-UHFFFAOYSA-N
XLogP23.24
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001864.32
LogP ≤ 523.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
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
4-ethyl-2,5-diphenylpyridine;4-ethyl-5-phenyl-2-phenylpyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine);molecular hydrogen;trifluoromethanesulfonate
CID 157285121
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;iridium;4-methyl-5-phenyl-2-phenylpyridine;2-phenylpyridine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 161220294
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
iridium(3+);5-phenyl-2-phenyl-4-(2,2,2-trideuterioethyl)pyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine)
CID 59547058
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
iridium(3+);4-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine)
CID 59547003

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccc2ccccc2c1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 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?
The InChIKey is ALOPAQJNQXDNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N.C19H16N.C18H14N.2C12H10N.C11H8N.3Ir/c1-16-13-22(18-8-3-2-4-9-18)23-15-21(16)20-12-11-17-7-5-6-10-19(17)14-20;1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2-8,10-15H,1H3;3-11,13-14H,2H2,1H3;2-10,12-13H,1H3;2*2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;.
What are the key properties of 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?
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 has a molecular weight of 1864.32 g/mol, XLogP of 23.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160700604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).