chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)

C45H34ClN6Pt-2 — CID 59146596

IUPACchloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)
SMILESCl[Pt].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C15H12N2.2C15H11N2.ClH.Pt/c3*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h1-11H,(H,16,17);2*1-11H;1H;/q;2*-1;;+1/p-1
InChIKeyNYJJUPYEXITCTE-UHFFFAOYSA-M
MW889.34 g/mol
LogP11.18
Rot. Bonds6

About chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)

chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide) (PubChem CID 59146596) has the molecular formula C45H34ClN6Pt-2 and a molecular weight of 889.34 g/mol. Its IUPAC name is chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide).

Molecular Properties

Compound Namechloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)
PubChem CID59146596
Molecular FormulaC45H34ClN6Pt-2
Molecular Weight889.34 g/mol
Exact Mass888.22
IUPAC Namechloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)
SMILESCl[Pt].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C15H12N2.2C15H11N2.ClH.Pt/c3*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h1-11H,(H,16,17);2*1-11H;1H;/q;2*-1;;+1/p-1
InChIKeyNYJJUPYEXITCTE-UHFFFAOYSA-M
XLogP11.18
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.34
LogP ≤ 511.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
CID 11089757
3-Phenyl-5-(5-phenyl-1h-pyrazol-3-yl)-1h-pyrazole
CID 388120
5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CID 10959397
tris(3,5-diphenyl-1H-pyrazol-4-yl)borane
CID 54132821
tris(5-methyl-3-phenyl-1H-pyrazol-4-yl)borane
CID 57030268
Tris(3,5-diphenylpyrazol-1-yl)borane
CID 91278876
Hydrotris(3,5-diphenyl-1-pyrazolyl)borate
CID 123900971
3-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazole
CID 340686
5-[1,1,2,2,3,3,4,4-octafluoro-4-(3-phenyl-1H-pyrazol-5-yl)butyl]-3-phenyl-1H-pyrazole
CID 4324453
5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529580
5-benzyl-3-propan-2-yl-1H-pyrazole;5-(dicyclopropylmethyl)-3-propan-2-yl-1H-pyrazole;4-fluoroaniline;5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 144988107
Bis(5-methyl-3-phenyl-4-pyrazolyl)methane
CID 12992206

Frequently Asked Questions

What is the IUPAC name of chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)?
The IUPAC name of chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide) (CID 59146596) is chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide).
What is the SMILES notation for chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)?
The canonical SMILES for chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide) is Cl[Pt].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)?
The InChIKey is NYJJUPYEXITCTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2.2C15H11N2.ClH.Pt/c3*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h1-11H,(H,16,17);2*1-11H;1H;/q;2*-1;;+1/p-1.
What are the key properties of chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)?
chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide) has a molecular weight of 889.34 g/mol, XLogP of 11.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide) is sourced from PubChem (CID 59146596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).