anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

C23H19N2OPt- — CID 157414617

IUPACanisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESCOc1ccccc1.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C7H8O.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-8-7-5-3-2-4-6-7;/h1-11H;2-6H,1H3;/q-1;;
InChIKeyWWVJGZXXOLOTMZ-UHFFFAOYSA-N
MW534.50 g/mol
LogP5.30
Rot. Bonds3

About anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 157414617) has the molecular formula C23H19N2OPt- and a molecular weight of 534.50 g/mol. Its IUPAC name is anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Nameanisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
PubChem CID157414617
Molecular FormulaC23H19N2OPt-
Molecular Weight534.50 g/mol
Exact Mass534.12
IUPAC Nameanisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESCOc1ccccc1.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C7H8O.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-8-7-5-3-2-4-6-7;/h1-11H;2-6H,1H3;/q-1;;
InChIKeyWWVJGZXXOLOTMZ-UHFFFAOYSA-N
XLogP5.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
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CID 21024826
platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid
CID 21024803
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 58637296
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
2,6-dimethoxy-3-pyridin-2-ylpyridine
CID 67608577
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The IUPAC name of anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 157414617) is anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is COc1ccccc1.[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.
What is the InChIKey of anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The InChIKey is WWVJGZXXOLOTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C7H8O.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-8-7-5-3-2-4-6-7;/h1-11H;2-6H,1H3;/q-1;;.
What are the key properties of anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine has a molecular weight of 534.50 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 157414617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).