3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)

C119H101Ir5N7O7Pt-8 — CID 157149348

IUPAC3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc[c-]c(-c2ccccn2)c1.Oc1ccccc1-c1ccccc1.[CH2-]OC(C)=CC(C)=O.[CH2-]OC(C)=CC(C)=O.[CH2-]OC(C)=CC(C)=O.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H15N2.C17H11N.C15H10N.2C12H10N.C12H10O.C11H8N.3C6H9O2.5Ir.Pt/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;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-5(7)4-6(2)8-3;;;;;;/h1-12,14-16H;1-7,9-12H;1-7,9-11H;2-5,7-9H,1H3;2-7,9H,1H3;1-9,13H;1-6,8-9H;3*4H,3H2,1-2H3;;;;;;/q-1;-2;3*-1;;4*-1;;;;;;+2
InChIKeyJGSBRHQLWBHVDI-UHFFFAOYSA-N
MW2897.32 g/mol
LogP28.17
Rot. Bonds16

About 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)

3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+) (PubChem CID 157149348) has the molecular formula C119H101Ir5N7O7Pt-8 and a molecular weight of 2897.32 g/mol. Its IUPAC name is 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+).

Molecular Properties

Compound Name3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)
PubChem CID157149348
Molecular FormulaC119H101Ir5N7O7Pt-8
Molecular Weight2897.32 g/mol
Exact Mass2899.56
IUPAC Name3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc[c-]c(-c2ccccn2)c1.Oc1ccccc1-c1ccccc1.[CH2-]OC(C)=CC(C)=O.[CH2-]OC(C)=CC(C)=O.[CH2-]OC(C)=CC(C)=O.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H15N2.C17H11N.C15H10N.2C12H10N.C12H10O.C11H8N.3C6H9O2.5Ir.Pt/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;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-5(7)4-6(2)8-3;;;;;;/h1-12,14-16H;1-7,9-12H;1-7,9-11H;2-5,7-9H,1H3;2-7,9H,1H3;1-9,13H;1-6,8-9H;3*4H,3H2,1-2H3;;;;;;/q-1;-2;3*-1;;4*-1;;;;;;+2
InChIKeyJGSBRHQLWBHVDI-UHFFFAOYSA-N
XLogP28.17
TPSA189.36 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.32
LogP ≤ 528.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+) with MolForge

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Related Compounds

CID 157216134
CID 157216134
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;dysprosium;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(3H-naphthalen-3-id-2-yl)isoquinoline;1,10-phenanthroline;1-phenylisoquinoline;3-phenylisoquinoline;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 157243831
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157253808
CID 157347418
CID 157347418
2-Acetyl-3-hydroxycyclohex-2-en-1-one;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;6-phenylphenanthridine;2-phenyl-3-phenylquinoxaline;platinum
CID 157373570
CID 157434396
CID 157434396
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);1-methyl-4-phenylbenzene-5-ide;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157533924
2-(3,4-Diphenylbenzene-6-id-1-yl)-5-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+);pyridine-2-carboxylic acid
CID 157715994
CID 157751590
CID 157751590
CID 157832357
CID 157832357
CID 158078780
CID 158078780
CID 158255637
CID 158255637

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)?
The IUPAC name of 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+) (CID 157149348) is 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+).
What is the SMILES notation for 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)?
The canonical SMILES for 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+) is Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc[c-]c(-c2ccccn2)c1.Oc1ccccc1-c1ccccc1.[CH2-]OC(C)=CC(C)=O.[CH2-]OC(C)=CC(C)=O.[CH2-]OC(C)=CC(C)=O.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)?
The InChIKey is JGSBRHQLWBHVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C17H11N.C15H10N.2C12H10N.C12H10O.C11H8N.3C6H9O2.5Ir.Pt/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;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-5(7)4-6(2)8-3;;;;;;/h1-12,14-16H;1-7,9-12H;1-7,9-11H;2-5,7-9H,1H3;2-7,9H,1H3;1-9,13H;1-6,8-9H;3*4H,3H2,1-2H3;;;;;;/q-1;-2;3*-1;;4*-1;;;;;;+2.
What are the key properties of 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+)?
3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+) has a molecular weight of 2897.32 g/mol, XLogP of 28.17, 16 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-phenylpyrazine;pentakis(iridium);tris(4-methanidyloxypent-3-en-2-one);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+) is sourced from PubChem (CID 157149348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).