2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)

C20H13N3OPt — CID 59661150

IUPAC2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-n1[c-]c(Oc2cccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H13N3O.Pt/c1-2-7-16(8-3-1)23-14-12-17(15-23)24-20-11-6-10-19(22-20)18-9-4-5-13-21-18;/h1-7,9-14H;/q-2;+2
InChIKeyFSTMWIGAUXLELK-UHFFFAOYSA-N
MW506.42 g/mol
LogP4.32
Rot. Bonds4

About 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)

2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+) (PubChem CID 59661150) has the molecular formula C20H13N3OPt and a molecular weight of 506.42 g/mol. Its IUPAC name is 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+).

Molecular Properties

Compound Name2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)
PubChem CID59661150
Molecular FormulaC20H13N3OPt
Molecular Weight506.42 g/mol
Exact Mass506.07
IUPAC Name2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-n1[c-]c(Oc2cccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H13N3O.Pt/c1-2-7-16(8-3-1)23-14-12-17(15-23)24-20-11-6-10-19(22-20)18-9-4-5-13-21-18;/h1-7,9-14H;/q-2;+2
InChIKeyFSTMWIGAUXLELK-UHFFFAOYSA-N
XLogP4.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-2,2'-bipyridine
CID 603958
6-Propoxy-2,2'-bipyridyl
CID 599041
6-Ethoxy-2,2'-bipyridyl
CID 603819
CID 57806497
CID 57806497
Iridium(3+);2-phenyl-6-(2-phenylethoxy)pyridine;2-phenyl-6-(2-pyridin-2-ylethoxy)pyridine
CID 58621573
Bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine
CID 58637269
4-Methoxy-2-(4-methylbenzene-6-id-1-yl)-6-pyridin-2-ylpyridine;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)
CID 58637302
2-(2,4-Difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)
CID 58709001
Phenyl-[2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]propan-2-yl]phosphane;platinum
CID 58709037
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]oxypyridine;platinum(2+)
CID 58709051
2-(2,4-Difluorobenzene-6-id-1-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;platinum(2+)
CID 58709092
Platinum(2+);2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]indol-1-ide
CID 58709120

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)?
The IUPAC name of 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+) (CID 59661150) is 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+).
What is the SMILES notation for 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)?
The canonical SMILES for 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+) is [Pt+2].[c-]1ccccc1-n1[c-]c(Oc2cccc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)?
The InChIKey is FSTMWIGAUXLELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O.Pt/c1-2-7-16(8-3-1)23-14-12-17(15-23)24-20-11-6-10-19(22-20)18-9-4-5-13-21-18;/h1-7,9-14H;/q-2;+2.
What are the key properties of 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+)?
2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+) has a molecular weight of 506.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-2H-pyrrol-2-id-3-yl)oxy]-6-pyridin-2-ylpyridine;platinum(2+) is sourced from PubChem (CID 59661150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).