3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine

C92H74Ir3N6-6 — CID 163985331

IUPAC3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine
SMILESCc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1C.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2c(cn1)CCC2.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/3C17H12N.C14H12N.C14H14N.C13H12N.3Ir/c3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-15-14;1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;;;/h3*1-9,11-13H;1-3,5,9-10H,4,7-8H2;4-7,9H,1-3H3;3-6,8-9H,1-2H3;;;/q6*-1;;;
InChIKeyCJDXJSQFHCZSNM-UHFFFAOYSA-N
MW1840.30 g/mol
LogP22.32
Rot. Bonds9

About 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine

3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine (PubChem CID 163985331) has the molecular formula C92H74Ir3N6-6 and a molecular weight of 1840.30 g/mol. Its IUPAC name is 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine.

Molecular Properties

Compound Name3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine
PubChem CID163985331
Molecular FormulaC92H74Ir3N6-6
Molecular Weight1840.30 g/mol
Exact Mass1841.49
IUPAC Name3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine
SMILESCc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1C.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2c(cn1)CCC2.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/3C17H12N.C14H12N.C14H14N.C13H12N.3Ir/c3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-15-14;1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;;;/h3*1-9,11-13H;1-3,5,9-10H,4,7-8H2;4-7,9H,1-3H3;3-6,8-9H,1-2H3;;;/q6*-1;;;
InChIKeyCJDXJSQFHCZSNM-UHFFFAOYSA-N
XLogP22.32
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001840.30
LogP ≤ 522.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine with MolForge

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Related Compounds

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
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;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578651
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096
iridium;1-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166575000
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579
4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine
CID 160687812
pentakis(iridium);2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);5-phenyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
CID 158247432
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine?
The IUPAC name of 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine (CID 163985331) is 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine.
What is the SMILES notation for 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine?
The canonical SMILES for 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine is Cc1ccnc(-c2[c-]cccc2)c1C.Cc1cnc(-c2[c-]cccc2)c(C)c1C.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2c(cn1)CCC2.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine?
The InChIKey is CJDXJSQFHCZSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H12N.C14H12N.C14H14N.C13H12N.3Ir/c3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-15-14;1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12;;;/h3*1-9,11-13H;1-3,5,9-10H,4,7-8H2;4-7,9H,1-3H3;3-6,8-9H,1-2H3;;;/q6*-1;;;.
What are the key properties of 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine?
3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine has a molecular weight of 1840.30 g/mol, XLogP of 22.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine is sourced from PubChem (CID 163985331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).