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

C34H52N2Pd — CID 87876553

IUPAC5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium
SMILESCCCCC(=N\c1cc(CCC)cc(CCC)c1)/C(CCCC)=N/c1cc(CCC)cc(CCC)c1.[Pd]
InChIInChI=1S/C34H52N2.Pd/c1-7-13-19-33(35-31-23-27(15-9-3)21-28(24-31)16-10-4)34(20-14-8-2)36-32-25-29(17-11-5)22-30(26-32)18-12-6;/h21-26H,7-20H2,1-6H3;/b35-33+,36-34+;
InChIKeyQSAOKHVXKXNTIX-KCINWWGPSA-N
MW595.22 g/mol
LogP10.72
Rot. Bonds17

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

5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium (PubChem CID 87876553) has the molecular formula C34H52N2Pd and a molecular weight of 595.22 g/mol. Its IUPAC name is 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium.

Molecular Properties

Compound Name5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium
PubChem CID87876553
Molecular FormulaC34H52N2Pd
Molecular Weight595.22 g/mol
Exact Mass594.32
IUPAC Name5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium
SMILESCCCCC(=N\c1cc(CCC)cc(CCC)c1)/C(CCCC)=N/c1cc(CCC)cc(CCC)c1.[Pd]
InChIInChI=1S/C34H52N2.Pd/c1-7-13-19-33(35-31-23-27(15-9-3)21-28(24-31)16-10-4)34(20-14-8-2)36-32-25-29(17-11-5)22-30(26-32)18-12-6;/h21-26H,7-20H2,1-6H3;/b35-33+,36-34+;
InChIKeyQSAOKHVXKXNTIX-KCINWWGPSA-N
XLogP10.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.22
LogP ≤ 510.72
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(3,5-dibutylphenyl)decane-5,6-diimine;nickel
CID 87875762
6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
CID 87911478
5-N,6-N-bis(3,5-dibutylphenyl)dodecane-5,6-diimine;palladium
CID 87912205
5-N,6-N-bis(3,5-dipentylphenyl)undecane-5,6-diimine
CID 21033594
3-N,4-N-bis(3,5-dipentylphenyl)octane-3,4-diimine
CID 21033571
9-N,10-N-bis(3,5-dibutylphenyl)octadecane-9,10-diimine
CID 21033461
9-N,10-N-bis(3,5-dipentylphenyl)octadecane-9,10-diimine;nickel
CID 87912252
6-N,7-N-bis(3,5-dipentylphenyl)tridecane-6,7-diimine;nickel
CID 87876162
6-N,7-N-bis(3,5-dipentylphenyl)dotriacontane-6,7-diimine;nickel
CID 87912378
3-N,4-N-bis(3,5-diethylphenyl)octane-3,4-diimine
CID 87874647
5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium
CID 87912016
9-N,10-N-bis(3,5-dipentylphenyl)hentriacont-11-yne-9,10-diimine
CID 21033589

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium?
The IUPAC name of 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium (CID 87876553) is 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium.
What is the SMILES notation for 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium?
The canonical SMILES for 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium is CCCCC(=N\c1cc(CCC)cc(CCC)c1)/C(CCCC)=N/c1cc(CCC)cc(CCC)c1.[Pd].
What is the InChIKey of 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium?
The InChIKey is QSAOKHVXKXNTIX-KCINWWGPSA-N. The full InChI is InChI=1S/C34H52N2.Pd/c1-7-13-19-33(35-31-23-27(15-9-3)21-28(24-31)16-10-4)34(20-14-8-2)36-32-25-29(17-11-5)22-30(26-32)18-12-6;/h21-26H,7-20H2,1-6H3;/b35-33+,36-34+;.
What are the key properties of 5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium?
5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium has a molecular weight of 595.22 g/mol, XLogP of 10.72, 17 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(3,5-dipropylphenyl)decane-5,6-diimine;palladium is sourced from PubChem (CID 87876553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).