1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

C44H28N4OPt2 — CID 164733625

IUPAC1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILES[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1cccc2oc3ccc[c-]c3c12.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/2C16H11N2.C12H6O.2Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;/h1-11H;1-7,9-12H;1-4,7-8H;;/q2*-1;-2;2*+2
InChIKeyUBRWNVQENGUVMA-UHFFFAOYSA-N
MW1018.89 g/mol
LogP10.40
Rot. Bonds4

About 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 164733625) has the molecular formula C44H28N4OPt2 and a molecular weight of 1018.89 g/mol. Its IUPAC name is 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Name1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
PubChem CID164733625
Molecular FormulaC44H28N4OPt2
Molecular Weight1018.89 g/mol
Exact Mass1018.16
IUPAC Name1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILES[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1cccc2oc3ccc[c-]c3c12.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/2C16H11N2.C12H6O.2Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;/h1-11H;1-7,9-12H;1-4,7-8H;;/q2*-1;-2;2*+2
InChIKeyUBRWNVQENGUVMA-UHFFFAOYSA-N
XLogP10.40
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.89
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The IUPAC name of 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 164733625) is 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1cccc2oc3ccc[c-]c3c12.[c-]1ccccc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The InChIKey is UBRWNVQENGUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11N2.C12H6O.2Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;/h1-11H;1-7,9-12H;1-4,7-8H;;/q2*-1;-2;2*+2.
What are the key properties of 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine has a molecular weight of 1018.89 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 164733625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).