tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine

C86H57Cl3N6O4Pt3S — CID 158452911

IUPACtris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2ccccn2)[c-]c1Oc1ccccn1.Cl[Pt+].Cl[Pt+].Cl[Pt+].[c-]1c(-c2ccccn2)ccc(-c2ccc3c(c2)oc2ccccc23)c1Oc1ccccn1.[c-]1c(-c2ccccn2)ccc(-c2ccc3sc4ccccc4c3c2)c1Oc1ccccn1
InChIInChI=1S/C30H23N2O.C28H17N2O2.C28H17N2OS.3ClH.3Pt/c1-21-18-25(23-10-4-3-5-11-23)19-22(2)30(21)26-15-14-24(27-12-6-8-16-31-27)20-28(26)33-29-13-7-9-17-32-29;1-2-9-25-22(7-1)23-14-11-19(17-27(23)31-25)21-13-12-20(24-8-3-5-15-29-24)18-26(21)32-28-10-4-6-16-30-28;1-2-9-26-22(7-1)23-17-19(12-14-27(23)32-26)21-13-11-20(24-8-3-5-15-29-24)18-25(21)31-28-10-4-6-16-30-28;;;;;;/h3-19H,1-2H3;2*1-17H;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyATDBOEPHRFYBMZ-UHFFFAOYSA-K
MW1962.10 g/mol
LogP24.82
Rot. Bonds13

About tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine

tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine (PubChem CID 158452911) has the molecular formula C86H57Cl3N6O4Pt3S and a molecular weight of 1962.10 g/mol. Its IUPAC name is tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine.

Molecular Properties

Compound Nametris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine
PubChem CID158452911
Molecular FormulaC86H57Cl3N6O4Pt3S
Molecular Weight1962.10 g/mol
Exact Mass1959.22
IUPAC Nametris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2ccccn2)[c-]c1Oc1ccccn1.Cl[Pt+].Cl[Pt+].Cl[Pt+].[c-]1c(-c2ccccn2)ccc(-c2ccc3c(c2)oc2ccccc23)c1Oc1ccccn1.[c-]1c(-c2ccccn2)ccc(-c2ccc3sc4ccccc4c3c2)c1Oc1ccccn1
InChIInChI=1S/C30H23N2O.C28H17N2O2.C28H17N2OS.3ClH.3Pt/c1-21-18-25(23-10-4-3-5-11-23)19-22(2)30(21)26-15-14-24(27-12-6-8-16-31-27)20-28(26)33-29-13-7-9-17-32-29;1-2-9-25-22(7-1)23-14-11-19(17-27(23)31-25)21-13-12-20(24-8-3-5-15-29-24)18-26(21)32-28-10-4-6-16-30-28;1-2-9-26-22(7-1)23-17-19(12-14-27(23)32-26)21-13-11-20(24-8-3-5-15-29-24)18-25(21)31-28-10-4-6-16-30-28;;;;;;/h3-19H,1-2H3;2*1-17H;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyATDBOEPHRFYBMZ-UHFFFAOYSA-K
XLogP24.82
TPSA118.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.10
LogP ≤ 524.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine with MolForge

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Related Compounds

octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole
CID 161388175
2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxyphenyl)pyridine
CID 140818943
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-[7-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192387
2-[8-(2-dibenzofuran-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192055
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155078082
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
4-[4-(3-dibenzofuran-3-yl-5-phenylphenyl)phenyl]-2-dibenzothiophen-2-yl-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)pyrimidine
CID 170131684
3-dibenzofuran-4-yl-7-(4-dibenzothiophen-2-ylphenyl)dibenzofuran;2-[3-[7-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]phenyl]dibenzofuran;2-[3-(7-dibenzothiophen-3-yldibenzothiophen-3-yl)phenyl]dibenzofuran;3-dibenzothiophen-3-yl-7-(1-phenyldibenzothiophen-3-yl)dibenzofuran
CID 165104594

Frequently Asked Questions

What is the IUPAC name of tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine?
The IUPAC name of tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine (CID 158452911) is tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine.
What is the SMILES notation for tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine?
The canonical SMILES for tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine is Cc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2ccccn2)[c-]c1Oc1ccccn1.Cl[Pt+].Cl[Pt+].Cl[Pt+].[c-]1c(-c2ccccn2)ccc(-c2ccc3c(c2)oc2ccccc23)c1Oc1ccccn1.[c-]1c(-c2ccccn2)ccc(-c2ccc3sc4ccccc4c3c2)c1Oc1ccccn1.
What is the InChIKey of tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine?
The InChIKey is ATDBOEPHRFYBMZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C30H23N2O.C28H17N2O2.C28H17N2OS.3ClH.3Pt/c1-21-18-25(23-10-4-3-5-11-23)19-22(2)30(21)26-15-14-24(27-12-6-8-16-31-27)20-28(26)33-29-13-7-9-17-32-29;1-2-9-25-22(7-1)23-14-11-19(17-27(23)31-25)21-13-12-20(24-8-3-5-15-29-24)18-26(21)32-28-10-4-6-16-30-28;1-2-9-26-22(7-1)23-17-19(12-14-27(23)32-26)21-13-11-20(24-8-3-5-15-29-24)18-25(21)31-28-10-4-6-16-30-28;;;;;;/h3-19H,1-2H3;2*1-17H;3*1H;;;/q3*-1;;;;3*+2/p-3.
What are the key properties of tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine?
tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine has a molecular weight of 1962.10 g/mol, XLogP of 24.82, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine is sourced from PubChem (CID 158452911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).