benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)

C26H23ClN4Pd — CID 162401470

IUPACbenzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)
SMILESCl[Pd+].c1ccc(C[N-]c2ccccc2/N=N/c2ccccc2NCc2ccccc2)cc1
InChIInChI=1S/C26H23N4.ClH.Pd/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22;;/h1-18,27H,19-20H2;1H;/q-1;;+2/p-1/b30-29+;;
InChIKeyLOGIKEVVQWJGIH-NFOZGECASA-M
MW533.37 g/mol
LogP8.61
Rot. Bonds8

About benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)

benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+) (PubChem CID 162401470) has the molecular formula C26H23ClN4Pd and a molecular weight of 533.37 g/mol. Its IUPAC name is benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+).

Molecular Properties

Compound Namebenzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)
PubChem CID162401470
Molecular FormulaC26H23ClN4Pd
Molecular Weight533.37 g/mol
Exact Mass532.06
IUPAC Namebenzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)
SMILESCl[Pd+].c1ccc(C[N-]c2ccccc2/N=N/c2ccccc2NCc2ccccc2)cc1
InChIInChI=1S/C26H23N4.ClH.Pd/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22;;/h1-18,27H,19-20H2;1H;/q-1;;+2/p-1/b30-29+;;
InChIKeyLOGIKEVVQWJGIH-NFOZGECASA-M
XLogP8.61
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.37
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)?
The IUPAC name of benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+) (CID 162401470) is benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+).
What is the SMILES notation for benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)?
The canonical SMILES for benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+) is Cl[Pd+].c1ccc(C[N-]c2ccccc2/N=N/c2ccccc2NCc2ccccc2)cc1.
What is the InChIKey of benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)?
The InChIKey is LOGIKEVVQWJGIH-NFOZGECASA-M. The full InChI is InChI=1S/C26H23N4.ClH.Pd/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22;;/h1-18,27H,19-20H2;1H;/q-1;;+2/p-1/b30-29+;;.
What are the key properties of benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+)?
benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+) has a molecular weight of 533.37 g/mol, XLogP of 8.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[[2-(benzylamino)phenyl]diazenyl]phenyl]azanide;chloropalladium(1+) is sourced from PubChem (CID 162401470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).