sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide

C46H37ClN4NaO2Pt2- — CID 162044056

IUPACsodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide
SMILESCc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cl[Pt+].Oc1ccccc1.[Na+].[O-]c1ccccc1.[Pt]
InChIInChI=1S/2C17H13N2.2C6H6O.ClH.Na.2Pt/c2*1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;2*7-6-4-2-1-3-5-6;;;;/h2*2-11H,1H3;2*1-5,7H;1H;;;/q2*-1;;;;+1;;+2/p-2
InChIKeyDCROJYODDUKGRQ-UHFFFAOYSA-L
MW1126.43 g/mol
LogP7.68
Rot. Bonds4

About sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide

sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide (PubChem CID 162044056) has the molecular formula C46H37ClN4NaO2Pt2- and a molecular weight of 1126.43 g/mol. Its IUPAC name is sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide.

Molecular Properties

Compound Namesodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide
PubChem CID162044056
Molecular FormulaC46H37ClN4NaO2Pt2-
Molecular Weight1126.43 g/mol
Exact Mass1125.18
IUPAC Namesodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide
SMILESCc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cl[Pt+].Oc1ccccc1.[Na+].[O-]c1ccccc1.[Pt]
InChIInChI=1S/2C17H13N2.2C6H6O.ClH.Na.2Pt/c2*1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;2*7-6-4-2-1-3-5-6;;;;/h2*2-11H,1H3;2*1-5,7H;1H;;;/q2*-1;;;;+1;;+2/p-2
InChIKeyDCROJYODDUKGRQ-UHFFFAOYSA-L
XLogP7.68
TPSA94.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.43
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide?
The IUPAC name of sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide (CID 162044056) is sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide.
What is the SMILES notation for sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide?
The canonical SMILES for sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide is Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cl[Pt+].Oc1ccccc1.[Na+].[O-]c1ccccc1.[Pt].
What is the InChIKey of sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide?
The InChIKey is DCROJYODDUKGRQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H13N2.2C6H6O.ClH.Na.2Pt/c2*1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;2*7-6-4-2-1-3-5-6;;;;/h2*2-11H,1H3;2*1-5,7H;1H;;;/q2*-1;;;;+1;;+2/p-2.
What are the key properties of sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide?
sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide has a molecular weight of 1126.43 g/mol, XLogP of 7.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloroplatinum(1+);bis(2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);phenol;platinum;phenoxide is sourced from PubChem (CID 162044056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).