bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate

C204H206N50O18Pd10-4 — CID 139165005

IUPACbis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[n-]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[n-]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[nH]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[nH]c2C)c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[Pd].[Pd].[Pd]
InChIInChI=1S/2C21H22N6.2C21H21N6.10C12H12N2.6NO3.10Pd/c4*1-10-19(11(2)23-22-10)16-7-17(20-12(3)24-25-13(20)4)9-18(8-16)21-14(5)26-27-15(21)6;10*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;6*2-1(3)4;;;;;;;;;;/h2*7-9H,1-6H3,(H-2,22,23,24,25,26,27);2*7-9H,1-6H3;10*3-8H,1-2H3;;;;;;;;;;;;;;;;/q2*-2;2*-3;;;;;;;;;;;6*-1;;;;;6*+2
InChIKeyHPMXYCDZBGOTCZ-UHFFFAOYSA-N
MW4710.42 g/mol
LogP41.27
Rot. Bonds22

About bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate

bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate (PubChem CID 139165005) has the molecular formula C204H206N50O18Pd10-4 and a molecular weight of 4710.42 g/mol. Its IUPAC name is bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate.

Molecular Properties

Compound Namebis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate
PubChem CID139165005
Molecular FormulaC204H206N50O18Pd10-4
Molecular Weight4710.42 g/mol
Exact Mass4702.71
IUPAC Namebis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[n-]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[n-]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[nH]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[nH]c2C)c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[Pd].[Pd].[Pd]
InChIInChI=1S/2C21H22N6.2C21H21N6.10C12H12N2.6NO3.10Pd/c4*1-10-19(11(2)23-22-10)16-7-17(20-12(3)24-25-13(20)4)9-18(8-16)21-14(5)26-27-15(21)6;10*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;6*2-1(3)4;;;;;;;;;;/h2*7-9H,1-6H3,(H-2,22,23,24,25,26,27);2*7-9H,1-6H3;10*3-8H,1-2H3;;;;;;;;;;;;;;;;/q2*-2;2*-3;;;;;;;;;;;6*-1;;;;;6*+2
InChIKeyHPMXYCDZBGOTCZ-UHFFFAOYSA-N
XLogP41.27
TPSA982.26 Ų
H-Bond Donors2
H-Bond Acceptors50
Rotatable Bonds22
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004710.42
LogP ≤ 541.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1050

Analyze bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate?
The IUPAC name of bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate (CID 139165005) is bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate.
What is the SMILES notation for bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate?
The canonical SMILES for bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[n-]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[n-]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[nH]c2C)c1.Cc1n[n-]c(C)c1-c1cc(-c2c(C)n[n-]c2C)cc(-c2c(C)n[nH]c2C)c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd].[Pd].[Pd].[Pd].
What is the InChIKey of bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate?
The InChIKey is HPMXYCDZBGOTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22N6.2C21H21N6.10C12H12N2.6NO3.10Pd/c4*1-10-19(11(2)23-22-10)16-7-17(20-12(3)24-25-13(20)4)9-18(8-16)21-14(5)26-27-15(21)6;10*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;6*2-1(3)4;;;;;;;;;;/h2*7-9H,1-6H3,(H-2,22,23,24,25,26,27);2*7-9H,1-6H3;10*3-8H,1-2H3;;;;;;;;;;;;;;;;/q2*-2;2*-3;;;;;;;;;;;6*-1;;;;;6*+2.
What are the key properties of bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate?
bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate has a molecular weight of 4710.42 g/mol, XLogP of 41.27, 22 rotatable bonds, 2 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3,5-bis(3,5-dimethylpyrazol-1-id-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);bis(4-[3-(3,5-dimethylpyrazol-1-id-4-yl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3,5-dimethylpyrazol-1-ide);decakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(palladium);hexakis(palladium(2+));hexanitrate is sourced from PubChem (CID 139165005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).