5-N,6-N-diphenylpentadecane-5,6-diimine;palladium

C27H38N2Pd — CID 87874969

IUPAC5-N,6-N-diphenylpentadecane-5,6-diimine;palladium
SMILESCCCCCCCCCC(=N\c1ccccc1)/C(CCCC)=N/c1ccccc1.[Pd]
InChIInChI=1S/C27H38N2.Pd/c1-3-5-7-8-9-10-17-23-27(29-25-20-15-12-16-21-25)26(22-6-4-2)28-24-18-13-11-14-19-24;/h11-16,18-21H,3-10,17,22-23H2,1-2H3;/b28-26+,29-27+;
InChIKeyBQEVEQHIXVTSNF-JBQZZDHSSA-N
MW497.04 g/mol
LogP8.86
Rot. Bonds14

About 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium

5-N,6-N-diphenylpentadecane-5,6-diimine;palladium (PubChem CID 87874969) has the molecular formula C27H38N2Pd and a molecular weight of 497.04 g/mol. Its IUPAC name is 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium.

Molecular Properties

Compound Name5-N,6-N-diphenylpentadecane-5,6-diimine;palladium
PubChem CID87874969
Molecular FormulaC27H38N2Pd
Molecular Weight497.04 g/mol
Exact Mass496.21
IUPAC Name5-N,6-N-diphenylpentadecane-5,6-diimine;palladium
SMILESCCCCCCCCCC(=N\c1ccccc1)/C(CCCC)=N/c1ccccc1.[Pd]
InChIInChI=1S/C27H38N2.Pd/c1-3-5-7-8-9-10-17-23-27(29-25-20-15-12-16-21-25)26(22-6-4-2)28-24-18-13-11-14-19-24;/h11-16,18-21H,3-10,17,22-23H2,1-2H3;/b28-26+,29-27+;
InChIKeyBQEVEQHIXVTSNF-JBQZZDHSSA-N
XLogP8.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.04
LogP ≤ 58.86
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

6-N,7-N-diphenyldodecane-6,7-diimine;palladium
CID 87874738
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
5-N,6-N-diphenyldodecane-5,6-diimine;4-ethyl-5-propylbenzene-1,2-diolate;nickel(2+)
CID 162040579
5-N,6-N-bis(3-pentadecylphenyl)dotriacontane-5,6-diimine
CID 21033674
(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
CID 21033841
5-N,6-N-diphenyltridec-7-yne-5,6-diimine;nickel
CID 87876795
5-N,6-N-bis(4-tricosylphenyl)decane-5,6-diimine
CID 87910659

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium?
The IUPAC name of 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium (CID 87874969) is 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium.
What is the SMILES notation for 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium?
The canonical SMILES for 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium is CCCCCCCCCC(=N\c1ccccc1)/C(CCCC)=N/c1ccccc1.[Pd].
What is the InChIKey of 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium?
The InChIKey is BQEVEQHIXVTSNF-JBQZZDHSSA-N. The full InChI is InChI=1S/C27H38N2.Pd/c1-3-5-7-8-9-10-17-23-27(29-25-20-15-12-16-21-25)26(22-6-4-2)28-24-18-13-11-14-19-24;/h11-16,18-21H,3-10,17,22-23H2,1-2H3;/b28-26+,29-27+;.
What are the key properties of 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium?
5-N,6-N-diphenylpentadecane-5,6-diimine;palladium has a molecular weight of 497.04 g/mol, XLogP of 8.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-diphenylpentadecane-5,6-diimine;palladium is sourced from PubChem (CID 87874969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).