N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium

C30H44N2Pd — CID 87911382

IUPACN,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium
SMILESCCCCc1ccc(/N=C/C=N/c2ccc(CCCC)c(CCCC)c2)cc1CCCC.[Pd]
InChIInChI=1S/C30H44N2.Pd/c1-5-9-13-25-17-19-29(23-27(25)15-11-7-3)31-21-22-32-30-20-18-26(14-10-6-2)28(24-30)16-12-8-4;/h17-24H,5-16H2,1-4H3;/b31-21+,32-22+;
InChIKeyARDPPHCRYQKUDE-XGUYBVJSSA-N
MW539.12 g/mol
LogP9.16
Rot. Bonds15

About N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium

N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium (PubChem CID 87911382) has the molecular formula C30H44N2Pd and a molecular weight of 539.12 g/mol. Its IUPAC name is N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium.

Molecular Properties

Compound NameN,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium
PubChem CID87911382
Molecular FormulaC30H44N2Pd
Molecular Weight539.12 g/mol
Exact Mass538.25
IUPAC NameN,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium
SMILESCCCCc1ccc(/N=C/C=N/c2ccc(CCCC)c(CCCC)c2)cc1CCCC.[Pd]
InChIInChI=1S/C30H44N2.Pd/c1-5-9-13-25-17-19-29(23-27(25)15-11-7-3)31-21-22-32-30-20-18-26(14-10-6-2)28(24-30)16-12-8-4;/h17-24H,5-16H2,1-4H3;/b31-21+,32-22+;
InChIKeyARDPPHCRYQKUDE-XGUYBVJSSA-N
XLogP9.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.12
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(3,4-dibutylphenyl)propane-1,2-diimine;nickel
CID 87912035
1-N,2-N-bis(3,4-dibutylphenyl)heptane-1,2-diimine;nickel
CID 87875388
1-N,2-N-bis(3,4-dibutylphenyl)dec-3-yne-1,2-diimine
CID 22045998
6-N,7-N-bis(3,4-dibutylphenyl)dodecane-6,7-diimine
CID 87911804
5-N,6-N-bis(3,4-dibutylphenyl)decane-5,6-diimine;nickel
CID 87875213
1-N-(3,4-dipentylphenyl)-2-N-(3,4-dipropylphenyl)hexane-1,2-diimine
CID 87875183
6-N,7-N-bis(3,4-dibutylphenyl)dodecane-6,7-diimine;nickel
CID 87911803
5-N,6-N-bis(3,4-dibutylphenyl)undecane-5,6-diimine
CID 21033263
1-N,2-N-bis(3,4-dipentylphenyl)tridec-3-ene-1,2-diimine
CID 87910791
N,N'-bis(3,5-dibutylphenyl)ethane-1,2-diimine
CID 87875232
5-N,6-N-bis(3,4-dibutylphenyl)dodecane-5,6-diimine
CID 21033195
5-N,6-N-bis(3,4-dibutylphenyl)hexadecane-5,6-diimine
CID 21033211

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium?
The IUPAC name of N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium (CID 87911382) is N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium.
What is the SMILES notation for N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium?
The canonical SMILES for N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium is CCCCc1ccc(/N=C/C=N/c2ccc(CCCC)c(CCCC)c2)cc1CCCC.[Pd].
What is the InChIKey of N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium?
The InChIKey is ARDPPHCRYQKUDE-XGUYBVJSSA-N. The full InChI is InChI=1S/C30H44N2.Pd/c1-5-9-13-25-17-19-29(23-27(25)15-11-7-3)31-21-22-32-30-20-18-26(14-10-6-2)28(24-30)16-12-8-4;/h17-24H,5-16H2,1-4H3;/b31-21+,32-22+;.
What are the key properties of N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium?
N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium has a molecular weight of 539.12 g/mol, XLogP of 9.16, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium is sourced from PubChem (CID 87911382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).