hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum

C144H120Ir6N23OPt4-11 — CID 158997922

IUPAChexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum
SMILESCNCc1cc[c-]c(-c2nccn2C)c1.Cn1cc(-c2ccccc2)nc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]ccc(CO)c1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cc(-c2ccccc2)cn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/2C16H13N2.4C15H11N2.C12H14N3.C11H11N2O.2C10H9N2.C9H7N2.6Ir.4Pt/c1-18-12-15(13-8-4-2-5-9-13)17-16(18)14-10-6-3-7-11-14;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;2*1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-13-9-10-4-3-5-11(8-10)12-14-6-7-15(12)2;1-13-6-5-12-11(13)10-4-2-3-9(7-10)8-14;2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;;;;;;/h2-10,12H,1H3;2-8,10-12H,1H3;1-9,11-12H;2*1-7,9-12H;1-8,10-12H;3-4,6-8,13H,9H2,1-2H3;2-3,5-7,14H,8H2,1H3;2*2-5,7-8H,1H3;1-5,7-8H;;;;;;;;;;/q11*-1;;;;;;;;;;
InChIKeyIVKYFGLZEOCYHK-UHFFFAOYSA-N
MW4122.32 g/mol
LogP28.87
Rot. Bonds20

About hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum

hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum (PubChem CID 158997922) has the molecular formula C144H120Ir6N23OPt4-11 and a molecular weight of 4122.32 g/mol. Its IUPAC name is hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum.

Molecular Properties

Compound Namehexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum
PubChem CID158997922
Molecular FormulaC144H120Ir6N23OPt4-11
Molecular Weight4122.32 g/mol
Exact Mass4124.65
IUPAC Namehexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum
SMILESCNCc1cc[c-]c(-c2nccn2C)c1.Cn1cc(-c2ccccc2)nc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]ccc(CO)c1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cc(-c2ccccc2)cn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/2C16H13N2.4C15H11N2.C12H14N3.C11H11N2O.2C10H9N2.C9H7N2.6Ir.4Pt/c1-18-12-15(13-8-4-2-5-9-13)17-16(18)14-10-6-3-7-11-14;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;2*1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-13-9-10-4-3-5-11(8-10)12-14-6-7-15(12)2;1-13-6-5-12-11(13)10-4-2-3-9(7-10)8-14;2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;;;;;;/h2-10,12H,1H3;2-8,10-12H,1H3;1-9,11-12H;2*1-7,9-12H;1-8,10-12H;3-4,6-8,13H,9H2,1-2H3;2-3,5-7,14H,8H2,1H3;2*2-5,7-8H,1H3;1-5,7-8H;;;;;;;;;;/q11*-1;;;;;;;;;;
InChIKeyIVKYFGLZEOCYHK-UHFFFAOYSA-N
XLogP28.87
TPSA228.28 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004122.32
LogP ≤ 528.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum with MolForge

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Related Compounds

pentakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;1-phenylpyrazole
CID 161409759
nonakis(iridium);1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;tetrakis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-methyl-5-phenyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;1-phenyl-1,2,4-triazole;4-pyrazol-1-yl-3H-pyridin-3-ide
CID 157391898
bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
CID 157361743
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604
tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))
CID 158998564
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
2,6-dimethyl-3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole;tris(2-phenylpyridine);pyridine-2-carboxylic acid
CID 158456624
bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(3,5-dimethyl-1-phenylpyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(1-phenylpyrazole);pentakis(rhodium(2+))
CID 157438201
3,5-dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole
CID 160633215
CID 162299950
CID 162299950
4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum
CID 58947217
1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole
CID 162190585

Frequently Asked Questions

What is the IUPAC name of hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum?
The IUPAC name of hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum (CID 158997922) is hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum.
What is the SMILES notation for hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum?
The canonical SMILES for hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum is CNCc1cc[c-]c(-c2nccn2C)c1.Cn1cc(-c2ccccc2)nc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]ccc(CO)c1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cc(-c2ccccc2)cn1.[c-]1ccccc1-n1cccn1.
What is the InChIKey of hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum?
The InChIKey is IVKYFGLZEOCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N2.4C15H11N2.C12H14N3.C11H11N2O.2C10H9N2.C9H7N2.6Ir.4Pt/c1-18-12-15(13-8-4-2-5-9-13)17-16(18)14-10-6-3-7-11-14;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;2*1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-13-9-10-4-3-5-11(8-10)12-14-6-7-15(12)2;1-13-6-5-12-11(13)10-4-2-3-9(7-10)8-14;2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;;;;;;/h2-10,12H,1H3;2-8,10-12H,1H3;1-9,11-12H;2*1-7,9-12H;1-8,10-12H;3-4,6-8,13H,9H2,1-2H3;2-3,5-7,14H,8H2,1H3;2*2-5,7-8H,1H3;1-5,7-8H;;;;;;;;;;/q11*-1;;;;;;;;;;.
What are the key properties of hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum?
hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum has a molecular weight of 4122.32 g/mol, XLogP of 28.87, 20 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(iridium);[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;bis(1-methyl-2-phenylimidazole);1-methyl-4-phenyl-2-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;bis(1-phenyl-2-phenylimidazole);4-phenyl-1-phenylpyrazole;1-phenylpyrazole;platinum is sourced from PubChem (CID 158997922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).