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

C22H16N2PtS — CID 21024834

IUPACbenzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILES[Pt+2].[S-]c1ccccc1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C6H6S.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;7-6-4-2-1-3-5-6;/h1-11H;1-5,7H;/q-1;;+2/p-1
InChIKeyVFCBAYSZFFSGIE-UHFFFAOYSA-M
MW535.53 g/mol
LogP5.20
Rot. Bonds2

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

benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 21024834) has the molecular formula C22H16N2PtS and a molecular weight of 535.53 g/mol. Its IUPAC name is benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Namebenzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
PubChem CID21024834
Molecular FormulaC22H16N2PtS
Molecular Weight535.53 g/mol
Exact Mass535.07
IUPAC Namebenzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILES[Pt+2].[S-]c1ccccc1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C6H6S.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;7-6-4-2-1-3-5-6;/h1-11H;1-5,7H;/q-1;;+2/p-1
InChIKeyVFCBAYSZFFSGIE-UHFFFAOYSA-M
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The IUPAC name of benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 21024834) is benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is [Pt+2].[S-]c1ccccc1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.
What is the InChIKey of benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The InChIKey is VFCBAYSZFFSGIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11N2.C6H6S.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;7-6-4-2-1-3-5-6;/h1-11H;1-5,7H;/q-1;;+2/p-1.
What are the key properties of benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine has a molecular weight of 535.53 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiolate;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 21024834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).