bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)

C26H20N4Pt — CID 23597305

IUPACbis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)
SMILESCc1ccc(-c2ccc(C)cn2)nc1.[C-]#Cc1ccncc1.[C-]#Cc1ccncc1.[Pt+2]
InChIInChI=1S/C12H12N2.2C7H4N.Pt/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;2*1-2-7-3-5-8-6-4-7;/h3-8H,1-2H3;2*3-6H;/q;2*-1;+2
InChIKeyILNRSRYFKMRPON-UHFFFAOYSA-N
MW583.55 g/mol
LogP4.80
Rot. Bonds1

About bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)

bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+) (PubChem CID 23597305) has the molecular formula C26H20N4Pt and a molecular weight of 583.55 g/mol. Its IUPAC name is bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+).

Molecular Properties

Compound Namebis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)
PubChem CID23597305
Molecular FormulaC26H20N4Pt
Molecular Weight583.55 g/mol
Exact Mass583.13
IUPAC Namebis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)
SMILESCc1ccc(-c2ccc(C)cn2)nc1.[C-]#Cc1ccncc1.[C-]#Cc1ccncc1.[Pt+2]
InChIInChI=1S/C12H12N2.2C7H4N.Pt/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;2*1-2-7-3-5-8-6-4-7;/h3-8H,1-2H3;2*3-6H;/q;2*-1;+2
InChIKeyILNRSRYFKMRPON-UHFFFAOYSA-N
XLogP4.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
CID 159579778
bis(1-ethynyl-4-methylbenzene);platinum(2+)
CID 13126549
dichloroosmium;bis(5-methyl-2-(5-methyl-2-pyridinyl)pyridine)
CID 59404466
2-(4-ethynylphenyl)-5-methylpyridine
CID 139035898
2-(4-methoxy-3-pyridinyl)-5-methylpyridine
CID 91514165
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715
bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
3-(5-methyl-2-pyridinyl)isoquinoline
CID 58382619
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene
CID 144914085
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693

Frequently Asked Questions

What is the IUPAC name of bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)?
The IUPAC name of bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+) (CID 23597305) is bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+).
What is the SMILES notation for bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)?
The canonical SMILES for bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+) is Cc1ccc(-c2ccc(C)cn2)nc1.[C-]#Cc1ccncc1.[C-]#Cc1ccncc1.[Pt+2].
What is the InChIKey of bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)?
The InChIKey is ILNRSRYFKMRPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C7H4N.Pt/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;2*1-2-7-3-5-8-6-4-7;/h3-8H,1-2H3;2*3-6H;/q;2*-1;+2.
What are the key properties of bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+)?
bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+) has a molecular weight of 583.55 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethynylpyridine);5-methyl-2-(5-methyl-2-pyridinyl)pyridine;platinum(2+) is sourced from PubChem (CID 23597305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).