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

C124H140Ir4N8O8-4 — CID 162159541

IUPAC2,8-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
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)CC(O)CC(O)CC(C)C.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc[c-]c(-c2ncc(-c3ccccc3)nc2-c2cccc(C)c2)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)c(-c2ccccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/2C24H19N2.2C22H15N2.2C11H24O2.2C5H12O2.4Ir/c1-17-10-9-11-18(2)22(17)21-16-25-23(19-12-5-3-6-13-19)24(26-21)20-14-7-4-8-15-20;1-17-8-6-12-20(14-17)23-24(21-13-7-9-18(2)15-21)26-22(16-25-23)19-10-4-3-5-11-19;2*1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-10(2,3)8(12)7-9(13)11(4,5)6;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-4(6)3-5(2)7;;;;/h3-12,14-16H,1-2H3;3-11,13-16H,1-2H3;2*1-12,14-16H;8-9,12-13H,7H2,1-6H3;8-13H,5-7H2,1-4H3;2*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyVDNGDPHAZTZPRT-UHFFFAOYSA-N
MW2639.40 g/mol
LogP26.99
Rot. Bonds24

About 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

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 (PubChem CID 162159541) has the molecular formula C124H140Ir4N8O8-4 and a molecular weight of 2639.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,8-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
PubChem CID162159541
Molecular FormulaC124H140Ir4N8O8-4
Molecular Weight2639.40 g/mol
Exact Mass2640.93
IUPAC Name2,8-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
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)CC(O)CC(O)CC(C)C.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc[c-]c(-c2ncc(-c3ccccc3)nc2-c2cccc(C)c2)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)c(-c2ccccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/2C24H19N2.2C22H15N2.2C11H24O2.2C5H12O2.4Ir/c1-17-10-9-11-18(2)22(17)21-16-25-23(19-12-5-3-6-13-19)24(26-21)20-14-7-4-8-15-20;1-17-8-6-12-20(14-17)23-24(21-13-7-9-18(2)15-21)26-22(16-25-23)19-10-4-3-5-11-19;2*1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-10(2,3)8(12)7-9(13)11(4,5)6;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-4(6)3-5(2)7;;;;/h3-12,14-16H,1-2H3;3-11,13-16H,1-2H3;2*1-12,14-16H;8-9,12-13H,7H2,1-6H3;8-13H,5-7H2,1-4H3;2*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyVDNGDPHAZTZPRT-UHFFFAOYSA-N
XLogP26.99
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002639.40
LogP ≤ 526.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3,5-diphenyl-2-phenylpyrazine;iridium;6-methylheptane-2,4-diol
CID 59844751
3,5-diphenyl-2-phenylpyrazine;iridium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 59227834
2-(3,5-dimethylbenzene-6-id-1-yl)-3,5-bis(3,5-dimethylphenyl)pyrazine;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;tris(iridium);pentane-2,4-diol;2,2,6,6-tetramethylheptane-3,5-diol
CID 158853802
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
iridium;5-naphthalen-1-yl-3-phenyl-2-phenylpyrazine;pentane-2,4-diol
CID 58991381
3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-phenylpyrazine;iridium;pentane-2,4-diol
CID 58991473
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;iridium;pentane-2,4-diol
CID 140610524
1,3-dimethoxypropane-1,3-diol;3,5-diphenyl-2-phenylpyrazine;iridium
CID 58991397
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
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)CC(O)CC(O)CC(C)C.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc[c-]c(-c2ncc(-c3ccccc3)nc2-c2cccc(C)c2)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)c(-c2ccccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VDNGDPHAZTZPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19N2.2C22H15N2.2C11H24O2.2C5H12O2.4Ir/c1-17-10-9-11-18(2)22(17)21-16-25-23(19-12-5-3-6-13-19)24(26-21)20-14-7-4-8-15-20;1-17-8-6-12-20(14-17)23-24(21-13-7-9-18(2)15-21)26-22(16-25-23)19-10-4-3-5-11-19;2*1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-10(2,3)8(12)7-9(13)11(4,5)6;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-4(6)3-5(2)7;;;;/h3-12,14-16H,1-2H3;3-11,13-16H,1-2H3;2*1-12,14-16H;8-9,12-13H,7H2,1-6H3;8-13H,5-7H2,1-4H3;2*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2639.40 g/mol, XLogP of 26.99, 24 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162159541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).