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

C24H16N2Pt — CID 21024826

IUPACethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILES[C-]#Cc1ccccc1.[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C8H5.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-8-6-4-3-5-7-8;/h1-11H;3-7H;/q2*-1;+2
InChIKeyAYTZREQGVHNEBS-UHFFFAOYSA-N
MW527.48 g/mol
LogP5.23
Rot. Bonds2

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

ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 21024826) has the molecular formula C24H16N2Pt and a molecular weight of 527.48 g/mol. Its IUPAC name is ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Nameethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
PubChem CID21024826
Molecular FormulaC24H16N2Pt
Molecular Weight527.48 g/mol
Exact Mass527.10
IUPAC Nameethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILES[C-]#Cc1ccccc1.[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H11N2.C8H5.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-8-6-4-3-5-7-8;/h1-11H;3-7H;/q2*-1;+2
InChIKeyAYTZREQGVHNEBS-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-N,N-diphenylaniline;gold;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 140592761
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
1-tert-butyl-4-ethynylbenzene;ethynylbenzene;bis(2-isocyano-1,3-dimethylbenzene);methane;tetrakis(nickel(2+));tetrakis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);perchlorate
CID 158929017
anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157414617
1-tert-butyl-4-ethynylbenzene;ethene;ethynylbenzene;2-isocyano-1,3-dimethylbenzene;tetrakis(nickel(3+));tetrakis(2-(3-phenylbenzene-2-id-1-yl)pyridine)
CID 161051583
platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid
CID 21024803
bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 58637296
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;ethynylbenzene;iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 58898829
5-[3-(10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl)benzene-2-id-1-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;ethynylbenzene;platinum(2+)
CID 139246985
methane;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
CID 158290234
iridium;tris(2-phenylpyridine)
CID 23386734
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512

Frequently Asked Questions

What is the IUPAC name of ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The IUPAC name of ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 21024826) is ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is [C-]#Cc1ccccc1.[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.
What is the InChIKey of ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The InChIKey is AYTZREQGVHNEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C8H5.Pt/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-8-6-4-3-5-7-8;/h1-11H;3-7H;/q2*-1;+2.
What are the key properties of ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine has a molecular weight of 527.48 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 21024826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).