3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol

C34H41IrN2O2- — CID 58518566

IUPAC3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol
SMILESCCC(C)(C)C(O)CC(O)C(C)(C)C.[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H15N2.C12H26O2.Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-7-12(5,6)10(14)8-9(13)11(2,3)4;/h1-12,14-16H;9-10,13-14H,7-8H2,1-6H3;/q-1;;
InChIKeyVEAHNAMTDLKWDO-UHFFFAOYSA-N
MW701.93 g/mol
LogP7.86
Rot. Bonds7

About 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol

3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol (PubChem CID 58518566) has the molecular formula C34H41IrN2O2- and a molecular weight of 701.93 g/mol. Its IUPAC name is 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol.

Molecular Properties

Compound Name3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol
PubChem CID58518566
Molecular FormulaC34H41IrN2O2-
Molecular Weight701.93 g/mol
Exact Mass702.28
IUPAC Name3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol
SMILESCCC(C)(C)C(O)CC(O)C(C)(C)C.[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H15N2.C12H26O2.Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-7-12(5,6)10(14)8-9(13)11(2,3)4;/h1-12,14-16H;9-10,13-14H,7-8H2,1-6H3;/q-1;;
InChIKeyVEAHNAMTDLKWDO-UHFFFAOYSA-N
XLogP7.86
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.93
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-(2-phenylethyl)-1-[(1-pyridin-3-yl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}methanol
CID 16188490
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-3-[3,5-bis(trifluoromethyl)phenyl]pyrazine;iridium;pentane-2,4-diol
CID 57543601
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-3-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazine;iridium;pentane-2,4-diol
CID 57543622
3,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)pyrazine;iridium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 58219437
Iridium;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;pentane-2,4-diol
CID 58536597
Iridium;5-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;pentane-2,4-diol
CID 58536601
Iridium;pentane-2,4-diol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine
CID 58756229
Iridium;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;pentane-2,4-diol
CID 58756230
3,5-Diphenyl-2-phenylpyrazine;iridium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 59227834
Iridium;pentane-2,4-diol;3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806455
5-(3-Fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;iridium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 59844704
Iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 59844706

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol?
The IUPAC name of 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol (CID 58518566) is 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol.
What is the SMILES notation for 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol?
The canonical SMILES for 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol is CCC(C)(C)C(O)CC(O)C(C)(C)C.[Ir].[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol?
The InChIKey is VEAHNAMTDLKWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C12H26O2.Ir/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19;1-7-12(5,6)10(14)8-9(13)11(2,3)4;/h1-12,14-16H;9-10,13-14H,7-8H2,1-6H3;/q-1;;.
What are the key properties of 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol?
3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol has a molecular weight of 701.93 g/mol, XLogP of 7.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-phenylpyrazine;iridium;2,2,6,6-tetramethyloctane-3,5-diol is sourced from PubChem (CID 58518566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).