tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine

C121H120Ir4N8O8-4 — CID 157322480

IUPACtetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2ncc(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.Cc1nc(-c2[c-]cccc2)c(-c2ccccc2)nc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C28H19N2.C26H17N2.C24H19N2.C23H17N2.4C5H12O2.4Ir/c1-4-10-21(11-5-1)22-16-18-25(19-17-22)28-27(24-14-8-3-9-15-24)29-20-26(30-28)23-12-6-2-7-13-23;1-3-11-20(12-4-1)24-18-27-25(21-13-5-2-6-14-21)26(28-24)23-17-9-15-19-10-7-8-16-22(19)23;1-17-8-12-20(13-9-17)23-24(21-14-10-18(2)11-15-21)26-22(16-25-23)19-6-4-3-5-7-19;1-17-21(18-11-5-2-6-12-18)25-23(20-15-9-4-10-16-20)22(24-17)19-13-7-3-8-14-19;4*1-4(6)3-5(2)7;;;;/h1-14,16-20H;1-13,15-18H;3-12,14-16H,1-2H3;2-13,15-16H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyKEDBYFIBFBBTGW-UHFFFAOYSA-N
MW2583.21 g/mol
LogP25.40
Rot. Bonds21

About tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine

tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine (PubChem CID 157322480) has the molecular formula C121H120Ir4N8O8-4 and a molecular weight of 2583.21 g/mol. Its IUPAC name is tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine.

Molecular Properties

Compound Nametetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine
PubChem CID157322480
Molecular FormulaC121H120Ir4N8O8-4
Molecular Weight2583.21 g/mol
Exact Mass2584.78
IUPAC Nametetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2ncc(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.Cc1nc(-c2[c-]cccc2)c(-c2ccccc2)nc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C28H19N2.C26H17N2.C24H19N2.C23H17N2.4C5H12O2.4Ir/c1-4-10-21(11-5-1)22-16-18-25(19-17-22)28-27(24-14-8-3-9-15-24)29-20-26(30-28)23-12-6-2-7-13-23;1-3-11-20(12-4-1)24-18-27-25(21-13-5-2-6-14-21)26(28-24)23-17-9-15-19-10-7-8-16-22(19)23;1-17-8-12-20(13-9-17)23-24(21-14-10-18(2)11-15-21)26-22(16-25-23)19-6-4-3-5-7-19;1-17-21(18-11-5-2-6-12-18)25-23(20-15-9-4-10-16-20)22(24-17)19-13-7-3-8-14-19;4*1-4(6)3-5(2)7;;;;/h1-14,16-20H;1-13,15-18H;3-12,14-16H,1-2H3;2-13,15-16H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyKEDBYFIBFBBTGW-UHFFFAOYSA-N
XLogP25.40
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002583.21
LogP ≤ 525.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine with MolForge

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Related Compounds

iridium;5-naphthalen-1-yl-3-phenyl-2-phenylpyrazine;pentane-2,4-diol
CID 58991381
3,5-diphenyl-2-phenylpyrazine;iridium;6-methylheptane-2,4-diol
CID 59844751
3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-phenylpyrazine;iridium;pentane-2,4-diol
CID 58991473
iridium;pentane-2,4-diol;2,3,5-trimethyl-6-(4-naphthalen-1-ylbenzene-6-id-1-yl)pyrazine
CID 58461111
1,3-dimethoxypropane-1,3-diol;3,5-diphenyl-2-phenylpyrazine;iridium
CID 58991397
2,5-dimethyl-6-phenyl-3-phenylpyrazine;bis(iridium);3-methyl-5-phenyl-2-phenylpyrazine;bis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 158838229
3,5-diphenyl-2-phenylpyrazine;iridium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 59227834
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487
2,8-dimethylnonane-4,6-diol;5-(2,6-dimethylphenyl)-3-phenyl-2-phenylpyrazine;bis(3,5-diphenyl-2-phenylpyrazine);tetrakis(iridium);2-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-5-phenylpyrazine;bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol
CID 162159541
1,3-dimethoxypropane-1,3-diol;5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine;iridium
CID 58991490
3,5-diphenyl-2-phenylpyrazine;2-(1-hydroxyethyl)cyclohexan-1-ol;iridium
CID 140608905
3,5-diphenyl-2-phenylpyrazine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 156675172

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine?
The IUPAC name of tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine (CID 157322480) is tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine.
What is the SMILES notation for tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine?
The canonical SMILES for tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2ncc(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.Cc1nc(-c2[c-]cccc2)c(-c2ccccc2)nc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1cccc2ccccc12.
What is the InChIKey of tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine?
The InChIKey is KEDBYFIBFBBTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N2.C26H17N2.C24H19N2.C23H17N2.4C5H12O2.4Ir/c1-4-10-21(11-5-1)22-16-18-25(19-17-22)28-27(24-14-8-3-9-15-24)29-20-26(30-28)23-12-6-2-7-13-23;1-3-11-20(12-4-1)24-18-27-25(21-13-5-2-6-14-21)26(28-24)23-17-9-15-19-10-7-8-16-22(19)23;1-17-8-12-20(13-9-17)23-24(21-14-10-18(2)11-15-21)26-22(16-25-23)19-6-4-3-5-7-19;1-17-21(18-11-5-2-6-12-18)25-23(20-15-9-4-10-16-20)22(24-17)19-13-7-3-8-14-19;4*1-4(6)3-5(2)7;;;;/h1-14,16-20H;1-13,15-18H;3-12,14-16H,1-2H3;2-13,15-16H,1H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine?
tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine has a molecular weight of 2583.21 g/mol, XLogP of 25.40, 21 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine is sourced from PubChem (CID 157322480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).