tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum

C76H60N4P4Pt+4 — CID 135058067

IUPACtetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum
SMILESC(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.[Pt]
InChIInChI=1S/4C19H14NP.Pt/c4*1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)16-14-17-9-7-8-15-20-17;/h4*1-13,15H;/p+4
InChIKeyKYYLNYMGUXTGIC-UHFFFAOYSA-R
MW1348.32 g/mol
LogP13.02
Rot. Bonds8

About tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum

tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum (PubChem CID 135058067) has the molecular formula C76H60N4P4Pt+4 and a molecular weight of 1348.32 g/mol. Its IUPAC name is tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum.

Molecular Properties

Compound Nametetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum
PubChem CID135058067
Molecular FormulaC76H60N4P4Pt+4
Molecular Weight1348.32 g/mol
Exact Mass1347.34
IUPAC Nametetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum
SMILESC(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.[Pt]
InChIInChI=1S/4C19H14NP.Pt/c4*1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)16-14-17-9-7-8-15-20-17;/h4*1-13,15H;/p+4
InChIKeyKYYLNYMGUXTGIC-UHFFFAOYSA-R
XLogP13.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.32
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
1,2-Bis(di(pyridin-2-yl)phosphino)ethane
CID 400498
2,2':6',2''-Terpyridine, 6,6'''-(1,6-hexanediyl)bis-
CID 3044372
2,2':6',2''-Terpyridine, 6,6'''-(1,7-heptanediyl)bis-
CID 3044374
1,4-Butanediamine, N,N,N',N'-tetrakis(2-pyridinylmethyl)-
CID 12091558
1,4,8,11-Tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane
CID 12106558
1,4,7,10-Tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetraazacyclododecane
CID 15377250
N~1~,N~1~,N~3~,N~3~-Tetrakis[2-(pyridin-2-yl)ethyl]propane-1,3-diamine
CID 15520569
N,N,N',N'-tetrakis(2-pyridin-2-ylethyl)butane-1,4-diamine
CID 15520571
1,3-Bis-(di-2-pyridylphosphino)propane
CID 17756687
N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 69486318
1,4,7,10-Tetrakis(2-pyridylmethyl)-1,4,7,10-tetraazacyclotetradecane
CID 129772347

Frequently Asked Questions

What is the IUPAC name of tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum?
The IUPAC name of tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum (CID 135058067) is tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum.
What is the SMILES notation for tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum?
The canonical SMILES for tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum is C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.C(#C[PH+](c1ccccc1)c1ccccc1)c1ccccn1.[Pt].
What is the InChIKey of tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum?
The InChIKey is KYYLNYMGUXTGIC-UHFFFAOYSA-R. The full InChI is InChI=1S/4C19H14NP.Pt/c4*1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)16-14-17-9-7-8-15-20-17;/h4*1-13,15H;/p+4.
What are the key properties of tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum?
tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum has a molecular weight of 1348.32 g/mol, XLogP of 13.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum is sourced from PubChem (CID 135058067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).