sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide

C42H31ClN6NaO2Pt2- — CID 159249530

IUPACsodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide
SMILESCl[Pt+].Oc1ccccc1.[Na+].[O-]c1ccccc1.[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1.[c-]1c(-c2ccccn2)cncc1-c1ccccn1
InChIInChI=1S/2C15H10N3.2C6H6O.ClH.Na.2Pt/c2*1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;2*7-6-4-2-1-3-5-6;;;;/h2*1-8,10-11H;2*1-5,7H;1H;;;/q2*-1;;;;+1;;+2/p-2
InChIKeyWBINKICOZPNGJC-UHFFFAOYSA-L
MW1100.35 g/mol
LogP5.85
Rot. Bonds4

About sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide

sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide (PubChem CID 159249530) has the molecular formula C42H31ClN6NaO2Pt2- and a molecular weight of 1100.35 g/mol. Its IUPAC name is sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide.

Molecular Properties

Compound Namesodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide
PubChem CID159249530
Molecular FormulaC42H31ClN6NaO2Pt2-
Molecular Weight1100.35 g/mol
Exact Mass1099.14
IUPAC Namesodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide
SMILESCl[Pt+].Oc1ccccc1.[Na+].[O-]c1ccccc1.[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1.[c-]1c(-c2ccccn2)cncc1-c1ccccn1
InChIInChI=1S/2C15H10N3.2C6H6O.ClH.Na.2Pt/c2*1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;2*7-6-4-2-1-3-5-6;;;;/h2*1-8,10-11H;2*1-5,7H;1H;;;/q2*-1;;;;+1;;+2/p-2
InChIKeyWBINKICOZPNGJC-UHFFFAOYSA-L
XLogP5.85
TPSA120.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.35
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide?
The IUPAC name of sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide (CID 159249530) is sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide.
What is the SMILES notation for sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide?
The canonical SMILES for sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide is Cl[Pt+].Oc1ccccc1.[Na+].[O-]c1ccccc1.[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1.[c-]1c(-c2ccccn2)cncc1-c1ccccn1.
What is the InChIKey of sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide?
The InChIKey is WBINKICOZPNGJC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10N3.2C6H6O.ClH.Na.2Pt/c2*1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;2*7-6-4-2-1-3-5-6;;;;/h2*1-8,10-11H;2*1-5,7H;1H;;;/q2*-1;;;;+1;;+2/p-2.
What are the key properties of sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide?
sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide has a molecular weight of 1100.35 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloroplatinum(1+);bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);phenol;platinum;phenoxide is sourced from PubChem (CID 159249530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).