2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium

C137H110Ir3N10-2 — CID 160735816

IUPAC2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1cc2[n+](cc1C)Cc1ccccc1-2.Cc1ccc2c(c1)C[n+]1cc(C)ccc1-2.Cc1ccc[n+]2c1-c1ccccc1C2.[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)C[n+]1ccccc1-2
InChIInChI=1S/3C17H12N.2C14H14N.C13H12N.C12H10N.3C11H8N.3Ir/c1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-3-5-13-12(7-10)9-15-8-11(2)4-6-14(13)15;1-10-7-14-13-6-4-3-5-12(13)9-15(14)8-11(10)2;1-10-5-4-8-14-9-11-6-2-3-7-12(11)13(10)14;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-9,11-13H;1-11,13H;2*3-8H,9H2,1-2H3;2-8H,9H2,1H3;1-8H,9H2;3*1-6,8-9H;;;/q3*-1;4*+1;3*-1;;;
InChIKeyGIARCVIDCVMFCR-UHFFFAOYSA-N
MW2473.11 g/mol
LogP29.84
Rot. Bonds9

About 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium

2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 160735816) has the molecular formula C137H110Ir3N10-2 and a molecular weight of 2473.11 g/mol. Its IUPAC name is 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID160735816
Molecular FormulaC137H110Ir3N10-2
Molecular Weight2473.11 g/mol
Exact Mass2473.78
IUPAC Name2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1cc2[n+](cc1C)Cc1ccccc1-2.Cc1ccc2c(c1)C[n+]1cc(C)ccc1-2.Cc1ccc[n+]2c1-c1ccccc1C2.[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)C[n+]1ccccc1-2
InChIInChI=1S/3C17H12N.2C14H14N.C13H12N.C12H10N.3C11H8N.3Ir/c1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-3-5-13-12(7-10)9-15-8-11(2)4-6-14(13)15;1-10-7-14-13-6-4-3-5-12(13)9-15(14)8-11(10)2;1-10-5-4-8-14-9-11-6-2-3-7-12(11)13(10)14;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-9,11-13H;1-11,13H;2*3-8H,9H2,1-2H3;2-8H,9H2,1H3;1-8H,9H2;3*1-6,8-9H;;;/q3*-1;4*+1;3*-1;;;
InChIKeyGIARCVIDCVMFCR-UHFFFAOYSA-N
XLogP29.84
TPSA92.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002473.11
LogP ≤ 529.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium with MolForge

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Related Compounds

iridium(3+);2-phenyl-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 162697648
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
2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;pentakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-pyridin-2-ylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 157363691
2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)
CID 160715954
4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 162098213
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;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 159180309
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579
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
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
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 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium (CID 160735816) is 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium is Cc1cc2[n+](cc1C)Cc1ccccc1-2.Cc1ccc2c(c1)C[n+]1cc(C)ccc1-2.Cc1ccc[n+]2c1-c1ccccc1C2.[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)C[n+]1ccccc1-2.
What is the InChIKey of 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is GIARCVIDCVMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H12N.2C14H14N.C13H12N.C12H10N.3C11H8N.3Ir/c1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-3-5-13-12(7-10)9-15-8-11(2)4-6-14(13)15;1-10-7-14-13-6-4-3-5-12(13)9-15(14)8-11(10)2;1-10-5-4-8-14-9-11-6-2-3-7-12(11)13(10)14;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-9,11-13H;1-11,13H;2*3-8H,9H2,1-2H3;2-8H,9H2,1H3;1-8H,9H2;3*1-6,8-9H;;;/q3*-1;4*+1;3*-1;;;.
What are the key properties of 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium?
2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 2473.11 g/mol, XLogP of 29.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 160735816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).