1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)

C25H18N2OPt — CID 21024342

IUPAC1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
SMILES[C-]#Cc1ccc(OC)cc1.[Pt+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H11N2.C9H7O.Pt/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-3-8-4-6-9(10-2)7-5-8;/h1-7,9-12H;4-7H,2H3;/q2*-1;+2
InChIKeyWRXMIGMMISFSGA-UHFFFAOYSA-N
MW557.51 g/mol
LogP5.24
Rot. Bonds3

About 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)

1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+) (PubChem CID 21024342) has the molecular formula C25H18N2OPt and a molecular weight of 557.51 g/mol. Its IUPAC name is 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+).

Molecular Properties

Compound Name1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
PubChem CID21024342
Molecular FormulaC25H18N2OPt
Molecular Weight557.51 g/mol
Exact Mass557.11
IUPAC Name1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
SMILES[C-]#Cc1ccc(OC)cc1.[Pt+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H11N2.C9H7O.Pt/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-3-8-4-6-9(10-2)7-5-8;/h1-7,9-12H;4-7H,2H3;/q2*-1;+2
InChIKeyWRXMIGMMISFSGA-UHFFFAOYSA-N
XLogP5.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.51
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)?
The IUPAC name of 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+) (CID 21024342) is 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+).
What is the SMILES notation for 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)?
The canonical SMILES for 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+) is [C-]#Cc1ccc(OC)cc1.[Pt+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)?
The InChIKey is WRXMIGMMISFSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C9H7O.Pt/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;1-3-8-4-6-9(10-2)7-5-8;/h1-7,9-12H;4-7H,2H3;/q2*-1;+2.
What are the key properties of 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)?
1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+) has a molecular weight of 557.51 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-methoxybenzene;2-phenyl-6-pyridin-2-ylpyridine;platinum(2+) is sourced from PubChem (CID 21024342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).