6-N,7-N-diphenyldodecane-6,7-diimine;palladium

C24H32N2Pd — CID 87874738

IUPAC6-N,7-N-diphenyldodecane-6,7-diimine;palladium
SMILESCCCCCC(=N\c1ccccc1)/C(CCCCC)=N/c1ccccc1.[Pd]
InChIInChI=1S/C24H32N2.Pd/c1-3-5-9-19-23(25-21-15-11-7-12-16-21)24(20-10-6-4-2)26-22-17-13-8-14-18-22;/h7-8,11-18H,3-6,9-10,19-20H2,1-2H3;/b25-23+,26-24+;
InChIKeyHSBBXIVARNQRPF-MVAKMUFYSA-N
MW454.95 g/mol
LogP7.69
Rot. Bonds11

About 6-N,7-N-diphenyldodecane-6,7-diimine;palladium

6-N,7-N-diphenyldodecane-6,7-diimine;palladium (PubChem CID 87874738) has the molecular formula C24H32N2Pd and a molecular weight of 454.95 g/mol. Its IUPAC name is 6-N,7-N-diphenyldodecane-6,7-diimine;palladium.

Molecular Properties

Compound Name6-N,7-N-diphenyldodecane-6,7-diimine;palladium
PubChem CID87874738
Molecular FormulaC24H32N2Pd
Molecular Weight454.95 g/mol
Exact Mass454.16
IUPAC Name6-N,7-N-diphenyldodecane-6,7-diimine;palladium
SMILESCCCCCC(=N\c1ccccc1)/C(CCCCC)=N/c1ccccc1.[Pd]
InChIInChI=1S/C24H32N2.Pd/c1-3-5-9-19-23(25-21-15-11-7-12-16-21)24(20-10-6-4-2)26-22-17-13-8-14-18-22;/h7-8,11-18H,3-6,9-10,19-20H2,1-2H3;/b25-23+,26-24+;
InChIKeyHSBBXIVARNQRPF-MVAKMUFYSA-N
XLogP7.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.95
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-N,6-N-diphenylpentadecane-5,6-diimine;palladium
CID 87874969
7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
CID 87874780
3-N,4-N-diphenyldecane-3,4-diimine;palladium
CID 87876539
3-N,4-N-diphenyldecane-3,4-diimine;nickel
CID 87875369
6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium
CID 87911026
6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
CID 87911478
(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
CID 87911857
6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
CID 173191426
5-N,6-N-diphenyltridec-7-yne-5,6-diimine;nickel
CID 87876795
6-N,7-N-diphenylpentatriacont-8-ene-6,7-diimine;nickel
CID 87911997
5-N,6-N-diphenyldodecane-5,6-diimine;4-ethyl-5-propylbenzene-1,2-diolate;nickel(2+)
CID 162040579
(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
CID 21033841

Frequently Asked Questions

What is the IUPAC name of 6-N,7-N-diphenyldodecane-6,7-diimine;palladium?
The IUPAC name of 6-N,7-N-diphenyldodecane-6,7-diimine;palladium (CID 87874738) is 6-N,7-N-diphenyldodecane-6,7-diimine;palladium.
What is the SMILES notation for 6-N,7-N-diphenyldodecane-6,7-diimine;palladium?
The canonical SMILES for 6-N,7-N-diphenyldodecane-6,7-diimine;palladium is CCCCCC(=N\c1ccccc1)/C(CCCCC)=N/c1ccccc1.[Pd].
What is the InChIKey of 6-N,7-N-diphenyldodecane-6,7-diimine;palladium?
The InChIKey is HSBBXIVARNQRPF-MVAKMUFYSA-N. The full InChI is InChI=1S/C24H32N2.Pd/c1-3-5-9-19-23(25-21-15-11-7-12-16-21)24(20-10-6-4-2)26-22-17-13-8-14-18-22;/h7-8,11-18H,3-6,9-10,19-20H2,1-2H3;/b25-23+,26-24+;.
What are the key properties of 6-N,7-N-diphenyldodecane-6,7-diimine;palladium?
6-N,7-N-diphenyldodecane-6,7-diimine;palladium has a molecular weight of 454.95 g/mol, XLogP of 7.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,7-N-diphenyldodecane-6,7-diimine;palladium is sourced from PubChem (CID 87874738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).