2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))

C86H72Ir6N10Pt6-18 — CID 159726758

IUPAC2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))
SMILES[CH2-]Cc1[c-]c(-c2[c-]cc(C[CH2-])cn2)[c-]cc1.[CH2-]Cc1[c-]c(-c2[c-]cccn2)[c-]cc1C[CH2-].[CH2-]Cc1[c-]c(-c2ncc(C[CH2-])cn2)[c-]cc1.[CH2-]Cc1[c-]c(-c2ncccn2)[c-]cc1C[CH2-].[CH2-]Cc1c[c-]c(-c2[c-]ccc(C[CH2-])n2)nc1.[CH2-]Cc1c[c-]c(-c2[c-]cccn2)nc1C[CH2-].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt]
InChIInChI=1S/2C15H12N.4C14H12N2.6Ir.6Pt/c1-3-12-6-5-7-14(10-12)15-9-8-13(4-2)11-16-15;1-3-12-8-9-14(11-13(12)4-2)15-7-5-6-10-16-15;1-3-11-6-7-13(10-12(11)4-2)14-15-8-5-9-16-14;1-3-11-6-5-7-13(8-11)14-15-9-12(4-2)10-16-14;1-3-11-8-9-13(15-10-11)14-7-5-6-12(4-2)16-14;1-3-11-8-9-14(16-12(11)4-2)13-7-5-6-10-15-13;;;;;;;;;;;;/h5-6,8,11H,1-4H2;5-6,8,10H,1-4H2;5-6,8-9H,1-4H2;5-6,9-10H,1-4H2;2*5-6,8,10H,1-4H2;;;;;;;;;;;;/q2*-5;4*-4;;;;;;;;;4*+2
InChIKeyKZYZGTWYIWQPKX-UHFFFAOYSA-N
MW3569.36 g/mol
LogP15.76
Rot. Bonds18

About 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))

2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)) (PubChem CID 159726758) has the molecular formula C86H72Ir6N10Pt6-18 and a molecular weight of 3569.36 g/mol. Its IUPAC name is 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))
PubChem CID159726758
Molecular FormulaC86H72Ir6N10Pt6-18
Molecular Weight3569.36 g/mol
Exact Mass3572.17
IUPAC Name2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))
SMILES[CH2-]Cc1[c-]c(-c2[c-]cc(C[CH2-])cn2)[c-]cc1.[CH2-]Cc1[c-]c(-c2[c-]cccn2)[c-]cc1C[CH2-].[CH2-]Cc1[c-]c(-c2ncc(C[CH2-])cn2)[c-]cc1.[CH2-]Cc1[c-]c(-c2ncccn2)[c-]cc1C[CH2-].[CH2-]Cc1c[c-]c(-c2[c-]ccc(C[CH2-])n2)nc1.[CH2-]Cc1c[c-]c(-c2[c-]cccn2)nc1C[CH2-].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt]
InChIInChI=1S/2C15H12N.4C14H12N2.6Ir.6Pt/c1-3-12-6-5-7-14(10-12)15-9-8-13(4-2)11-16-15;1-3-12-8-9-14(11-13(12)4-2)15-7-5-6-10-16-15;1-3-11-6-7-13(10-12(11)4-2)14-15-8-5-9-16-14;1-3-11-6-5-7-13(8-11)14-15-9-12(4-2)10-16-14;1-3-11-8-9-13(15-10-11)14-7-5-6-12(4-2)16-14;1-3-11-8-9-14(16-12(11)4-2)13-7-5-6-10-15-13;;;;;;;;;;;;/h5-6,8,11H,1-4H2;5-6,8,10H,1-4H2;5-6,8-9H,1-4H2;5-6,9-10H,1-4H2;2*5-6,8,10H,1-4H2;;;;;;;;;;;;/q2*-5;4*-4;;;;;;;;;4*+2
InChIKeyKZYZGTWYIWQPKX-UHFFFAOYSA-N
XLogP15.76
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003569.36
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)) with MolForge

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Related Compounds

CID 159816337
CID 159816337
2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;tetrakis(iridium);methane;tetrakis(platinum(2+))
CID 160731484
Tris(iridium);tris(4-methyl-2-phenylpyrimidine)
CID 160996548
5-tert-butyl-3-(4-tert-butylbenzene-6-id-1-yl)-1-methyl-2H-imidazo[4,5-b]pyrazin-2-ide;bis(2-tert-butyl-9-(4-tert-butylbenzene-6-id-1-yl)-7-methyl-8H-purin-8-ide);iridium
CID 166503723
bis(5-tert-butyl-3-(4-tert-butylbenzene-6-id-1-yl)-1-methyl-2H-imidazo[4,5-b]pyrazin-2-ide);2-tert-butyl-9-(4-tert-butylbenzene-6-id-1-yl)-7-methyl-8H-purin-8-ide;iridium
CID 166503757
bis(5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);2-tert-butyl-7-methyl-9-phenyl-8H-purin-8-ide;iridium
CID 166503786

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))?
The IUPAC name of 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)) (CID 159726758) is 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))?
The canonical SMILES for 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)) is [CH2-]Cc1[c-]c(-c2[c-]cc(C[CH2-])cn2)[c-]cc1.[CH2-]Cc1[c-]c(-c2[c-]cccn2)[c-]cc1C[CH2-].[CH2-]Cc1[c-]c(-c2ncc(C[CH2-])cn2)[c-]cc1.[CH2-]Cc1[c-]c(-c2ncccn2)[c-]cc1C[CH2-].[CH2-]Cc1c[c-]c(-c2[c-]ccc(C[CH2-])n2)nc1.[CH2-]Cc1c[c-]c(-c2[c-]cccn2)nc1C[CH2-].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].
What is the InChIKey of 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))?
The InChIKey is KZYZGTWYIWQPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12N.4C14H12N2.6Ir.6Pt/c1-3-12-6-5-7-14(10-12)15-9-8-13(4-2)11-16-15;1-3-12-8-9-14(11-13(12)4-2)15-7-5-6-10-16-15;1-3-11-6-7-13(10-12(11)4-2)14-15-8-5-9-16-14;1-3-11-6-5-7-13(8-11)14-15-9-12(4-2)10-16-14;1-3-11-8-9-13(15-10-11)14-7-5-6-12(4-2)16-14;1-3-11-8-9-14(16-12(11)4-2)13-7-5-6-10-15-13;;;;;;;;;;;;/h5-6,8,11H,1-4H2;5-6,8,10H,1-4H2;5-6,8-9H,1-4H2;5-6,9-10H,1-4H2;2*5-6,8,10H,1-4H2;;;;;;;;;;;;/q2*-5;4*-4;;;;;;;;;4*+2.
What are the key properties of 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+))?
2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)) has a molecular weight of 3569.36 g/mol, XLogP of 15.76, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]-3H-pyridin-3-ide;2-[3,4-di(ethyl)benzene-2,6-diid-1-yl]pyrimidine;5,6-di(ethyl)-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)-3H-pyridin-3-ide;5-ethyl-2-(3-ethylbenzene-2,6-diid-1-yl)pyrimidine;5-ethyl-2-(6-ethyl-3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;hexakis(iridium);platinum;tetrakis(platinum(2+)) is sourced from PubChem (CID 159726758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).