2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine

C161H117Ir3N11O3Pt-2 — CID 158638926

IUPAC2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine
SMILESCc1cc(-c2[c-]ccc3ccccc23)nc(-c2[c-]ccc3ccccc23)c1.Cc1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ir+3].[Ir+3].[Ir].[Pt].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H17N.2C25H17N2.C18H13N.C18H14O.C16H11N2.C11H8N.C10H8N2.2C6H6O.3Ir.Pt/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27-26(17-18)24-15-7-11-20-9-3-5-13-22(20)24;2*1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-6-4-2-1-3-5-6;;;;/h2-13,16-17H,1H3;2*2-15H,1H3;2-8,10,12-13H,1H3;1-13,19H;1-7,9-12H;1-6,8-9H;1-8H;2*1-5,7H;;;;/q-2;2*-1;-2;;2*-1;;;;;2*+3;
InChIKeyFRQJLCLDAMIULX-UHFFFAOYSA-N
MW3025.51 g/mol
LogP39.21
Rot. Bonds14

About 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine

2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine (PubChem CID 158638926) has the molecular formula C161H117Ir3N11O3Pt-2 and a molecular weight of 3025.51 g/mol. Its IUPAC name is 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine
PubChem CID158638926
Molecular FormulaC161H117Ir3N11O3Pt-2
Molecular Weight3025.51 g/mol
Exact Mass3025.79
IUPAC Name2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine
SMILESCc1cc(-c2[c-]ccc3ccccc23)nc(-c2[c-]ccc3ccccc23)c1.Cc1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ir+3].[Ir+3].[Ir].[Pt].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H17N.2C25H17N2.C18H13N.C18H14O.C16H11N2.C11H8N.C10H8N2.2C6H6O.3Ir.Pt/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27-26(17-18)24-15-7-11-20-9-3-5-13-22(20)24;2*1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-6-4-2-1-3-5-6;;;;/h2-13,16-17H,1H3;2*2-15H,1H3;2-8,10,12-13H,1H3;1-13,19H;1-7,9-12H;1-6,8-9H;1-8H;2*1-5,7H;;;;/q-2;2*-1;-2;;2*-1;;;;;2*+3;
InChIKeyFRQJLCLDAMIULX-UHFFFAOYSA-N
XLogP39.21
TPSA202.48 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003025.51
LogP ≤ 539.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine?
The IUPAC name of 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine (CID 158638926) is 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine.
What is the SMILES notation for 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine?
The canonical SMILES for 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine is Cc1cc(-c2[c-]ccc3ccccc23)nc(-c2[c-]ccc3ccccc23)c1.Cc1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ir+3].[Ir+3].[Ir].[Pt].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine?
The InChIKey is FRQJLCLDAMIULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N.2C25H17N2.C18H13N.C18H14O.C16H11N2.C11H8N.C10H8N2.2C6H6O.3Ir.Pt/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27-26(17-18)24-15-7-11-20-9-3-5-13-22(20)24;2*1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-6-4-2-1-3-5-6;;;;/h2-13,16-17H,1H3;2*2-15H,1H3;2-8,10,12-13H,1H3;1-13,19H;1-7,9-12H;1-6,8-9H;1-8H;2*1-5,7H;;;;/q-2;2*-1;-2;;2*-1;;;;;2*+3;.
What are the key properties of 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine?
2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine has a molecular weight of 3025.51 g/mol, XLogP of 39.21, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylphenol;iridium;bis(iridium(3+));bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;4-methyl-2,6-di(phenyl)pyridine;phenol;2-phenylpyridine;2-phenyl-6-pyridin-2-ylpyridine;platinum;2-pyridin-2-ylpyridine is sourced from PubChem (CID 158638926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).