5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium

C30H44N2Pd — CID 87875150

IUPAC5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium
SMILESCCCCC(=N\c1ccc(CC)c(CC)c1)/C(CCCC)=N/c1ccc(CC)c(CC)c1.[Pd]
InChIInChI=1S/C30H44N2.Pd/c1-7-13-15-29(31-27-19-17-23(9-3)25(11-5)21-27)30(16-14-8-2)32-28-20-18-24(10-4)26(12-6)22-28;/h17-22H,7-16H2,1-6H3;/b31-29+,32-30+;
InChIKeyRXAZZLDOYZALFA-JPGNHJAOSA-N
MW539.12 g/mol
LogP9.16
Rot. Bonds13

About 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium

5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium (PubChem CID 87875150) has the molecular formula C30H44N2Pd and a molecular weight of 539.12 g/mol. Its IUPAC name is 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium.

Molecular Properties

Compound Name5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium
PubChem CID87875150
Molecular FormulaC30H44N2Pd
Molecular Weight539.12 g/mol
Exact Mass538.25
IUPAC Name5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium
SMILESCCCCC(=N\c1ccc(CC)c(CC)c1)/C(CCCC)=N/c1ccc(CC)c(CC)c1.[Pd]
InChIInChI=1S/C30H44N2.Pd/c1-7-13-15-29(31-27-19-17-23(9-3)25(11-5)21-27)30(16-14-8-2)32-28-20-18-24(10-4)26(12-6)22-28;/h17-22H,7-16H2,1-6H3;/b31-29+,32-30+;
InChIKeyRXAZZLDOYZALFA-JPGNHJAOSA-N
XLogP9.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
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_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-N,6-N-bis(3,4-diethylphenyl)heptacosane-5,6-diimine;nickel
CID 87911004
6-N,7-N-bis(3,4-diethylphenyl)triacontane-6,7-diimine;nickel
CID 87875400
9-N,10-N-bis(3,4-diethylphenyl)octatriacontane-9,10-diimine;nickel
CID 87911686
3-N,4-N-bis(3,4-diethylphenyl)dodecane-3,4-diimine
CID 21033316
3-N,4-N-bis(3,4-diethylphenyl)decane-3,4-diimine
CID 21033322
6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine
CID 87911617
2-N,3-N-bis(3,4-diethylphenyl)octane-2,3-diimine
CID 21033373
5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium
CID 87912016
5-N,6-N-bis(3,4-dipropylphenyl)decane-5,6-diimine;nickel
CID 87874695
5-N,6-N-bis(3,4-dibutylphenyl)decane-5,6-diimine;nickel
CID 87875213
5-N,6-N-bis(3,4-dibutylphenyl)undecane-5,6-diimine
CID 21033263
5-N,6-N-bis(3,4-dibutylphenyl)dodecane-5,6-diimine
CID 21033195

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium?
The IUPAC name of 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium (CID 87875150) is 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium.
What is the SMILES notation for 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium?
The canonical SMILES for 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium is CCCCC(=N\c1ccc(CC)c(CC)c1)/C(CCCC)=N/c1ccc(CC)c(CC)c1.[Pd].
What is the InChIKey of 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium?
The InChIKey is RXAZZLDOYZALFA-JPGNHJAOSA-N. The full InChI is InChI=1S/C30H44N2.Pd/c1-7-13-15-29(31-27-19-17-23(9-3)25(11-5)21-27)30(16-14-8-2)32-28-20-18-24(10-4)26(12-6)22-28;/h17-22H,7-16H2,1-6H3;/b31-29+,32-30+;.
What are the key properties of 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium?
5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium has a molecular weight of 539.12 g/mol, XLogP of 9.16, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium is sourced from PubChem (CID 87875150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).