1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium

C46H72N2Pd — CID 173191341

IUPAC1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium
SMILESCCCCCCCCCCCCC=Cc1cccc(/N=C/C(CCCC)=N/c2cccc(C=CCCCCCCCCCCCC)c2)c1.[Pd]
InChIInChI=1S/C46H72N2.Pd/c1-4-7-10-12-14-16-18-20-22-24-26-28-32-42-34-30-37-44(39-42)47-41-46(36-9-6-3)48-45-38-31-35-43(40-45)33-29-27-25-23-21-19-17-15-13-11-8-5-2;/h28-35,37-41H,4-27,36H2,1-3H3;/b32-28?,33-29?,47-41+,48-46+;
InChIKeyFPVGZEARSZEDCW-CCFIXFLPSA-N
MW759.52 g/mol
LogP16.00
Rot. Bonds30

About 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium

1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium (PubChem CID 173191341) has the molecular formula C46H72N2Pd and a molecular weight of 759.52 g/mol. Its IUPAC name is 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium.

Molecular Properties

Compound Name1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium
PubChem CID173191341
Molecular FormulaC46H72N2Pd
Molecular Weight759.52 g/mol
Exact Mass758.47
IUPAC Name1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium
SMILESCCCCCCCCCCCCC=Cc1cccc(/N=C/C(CCCC)=N/c2cccc(C=CCCCCCCCCCCCC)c2)c1.[Pd]
InChIInChI=1S/C46H72N2.Pd/c1-4-7-10-12-14-16-18-20-22-24-26-28-32-42-34-30-37-44(39-42)47-41-46(36-9-6-3)48-45-38-31-35-43(40-45)33-29-27-25-23-21-19-17-15-13-11-8-5-2;/h28-35,37-41H,4-27,36H2,1-3H3;/b32-28?,33-29?,47-41+,48-46+;
InChIKeyFPVGZEARSZEDCW-CCFIXFLPSA-N
XLogP16.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.52
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis(3-icos-1-enylphenyl)hexane-1,2-diimine;palladium
CID 173191286
1-N,2-N-bis(3-pentadec-1-enylphenyl)hexane-1,2-diimine;3-ethylbenzene-1,2-diolate;nickel(2+)
CID 157432785
1-N,2-N-bis(4-henicos-1-enylphenyl)heptane-1,2-diimine;nickel
CID 173191390
1-N-(3,5-dibutylphenyl)-2-N-(4-docos-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191313
1-N-(3,5-dipentylphenyl)-2-N-(4-dodec-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191328
1-N,2-N-bis(3-octadec-1-ynylphenyl)heptane-1,2-diimine
CID 87910610
1-N,2-N-bis(3,4-diethylphenyl)heptane-1,2-diimine;nickel
CID 87875080
1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel
CID 87911957
1-N-(3,4-dipentylphenyl)-2-N-(3,4-dipropylphenyl)hexane-1,2-diimine
CID 87875183
(E)-22-N-(3-heptadecylphenyl)-21-N-[3-[(E)-hex-1-enyl]phenyl]hexatetracont-23-ene-21,22-diimine;nickel
CID 87876108
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
1-N-(3,4-dipentylphenyl)-2-N-(3-hexadecylphenyl)octane-1,2-diimine
CID 87912504

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium?
The IUPAC name of 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium (CID 173191341) is 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium.
What is the SMILES notation for 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium?
The canonical SMILES for 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium is CCCCCCCCCCCCC=Cc1cccc(/N=C/C(CCCC)=N/c2cccc(C=CCCCCCCCCCCCC)c2)c1.[Pd].
What is the InChIKey of 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium?
The InChIKey is FPVGZEARSZEDCW-CCFIXFLPSA-N. The full InChI is InChI=1S/C46H72N2.Pd/c1-4-7-10-12-14-16-18-20-22-24-26-28-32-42-34-30-37-44(39-42)47-41-46(36-9-6-3)48-45-38-31-35-43(40-45)33-29-27-25-23-21-19-17-15-13-11-8-5-2;/h28-35,37-41H,4-27,36H2,1-3H3;/b32-28?,33-29?,47-41+,48-46+;.
What are the key properties of 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium?
1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium has a molecular weight of 759.52 g/mol, XLogP of 16.00, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium is sourced from PubChem (CID 173191341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).