bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate

C64H60Cu2F12N14O2P4 — CID 139106909

IUPACbis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate
SMILESCC#N.CC#N.Cc1cc(-c2ccccc2)nn1P(=O)(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C.Cc1cc(-c2ccccc2)nn1P(=O)(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+].[Cu+]
InChIInChI=1S/2C30H27N6OP.2C2H3N.2Cu.2F6P/c2*1-22-19-28(25-13-7-4-8-14-25)31-34(22)38(37,35-23(2)20-29(32-35)26-15-9-5-10-16-26)36-24(3)21-30(33-36)27-17-11-6-12-18-27;2*1-2-3;;;2*1-7(2,3,4,5)6/h2*4-21H,1-3H3;2*1H3;;;;/q;;;;2*+1;2*-1
InChIKeyQGTYZRNIFWIJSE-UHFFFAOYSA-N
MW1536.24 g/mol
LogP22.33
Rot. Bonds12

About bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate

bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate (PubChem CID 139106909) has the molecular formula C64H60Cu2F12N14O2P4 and a molecular weight of 1536.24 g/mol. Its IUPAC name is bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate
PubChem CID139106909
Molecular FormulaC64H60Cu2F12N14O2P4
Molecular Weight1536.24 g/mol
Exact Mass1534.24
IUPAC Namebis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate
SMILESCC#N.CC#N.Cc1cc(-c2ccccc2)nn1P(=O)(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C.Cc1cc(-c2ccccc2)nn1P(=O)(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+].[Cu+]
InChIInChI=1S/2C30H27N6OP.2C2H3N.2Cu.2F6P/c2*1-22-19-28(25-13-7-4-8-14-25)31-34(22)38(37,35-23(2)20-29(32-35)26-15-9-5-10-16-26)36-24(3)21-30(33-36)27-17-11-6-12-18-27;2*1-2-3;;;2*1-7(2,3,4,5)6/h2*4-21H,1-3H3;2*1H3;;;;/q;;;;2*+1;2*-1
InChIKeyQGTYZRNIFWIJSE-UHFFFAOYSA-N
XLogP22.33
TPSA188.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.24
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

Bis(copper(1+));ethene;bis(tris[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]boranuide)
CID 139167632
Nickel(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139137458
Iron(2+);bis(tris(3,5-diphenylpyrazol-1-yl)boranuide)
CID 139137800
Iron(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139138077

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate (CID 139106909) is bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate is CC#N.CC#N.Cc1cc(-c2ccccc2)nn1P(=O)(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C.Cc1cc(-c2ccccc2)nn1P(=O)(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+].[Cu+].
What is the InChIKey of bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate?
The InChIKey is QGTYZRNIFWIJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H27N6OP.2C2H3N.2Cu.2F6P/c2*1-22-19-28(25-13-7-4-8-14-25)31-34(22)38(37,35-23(2)20-29(32-35)26-15-9-5-10-16-26)36-24(3)21-30(33-36)27-17-11-6-12-18-27;2*1-2-3;;;2*1-7(2,3,4,5)6/h2*4-21H,1-3H3;2*1H3;;;;/q;;;;2*+1;2*-1.
What are the key properties of bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate?
bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate has a molecular weight of 1536.24 g/mol, XLogP of 22.33, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(1-bis(5-methyl-3-phenylpyrazol-1-yl)phosphoryl-5-methyl-3-phenylpyrazole);bis(copper(1+));dihexafluorophosphate is sourced from PubChem (CID 139106909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).