2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium

C23H30N2Pd — CID 87875173

IUPAC2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium
SMILESCCCCC(=N\c1cccc(CC)c1)/C(C)=N/c1cccc(CC)c1.[Pd]
InChIInChI=1S/C23H30N2.Pd/c1-5-8-15-23(25-22-14-10-12-20(7-3)17-22)18(4)24-21-13-9-11-19(6-2)16-21;/h9-14,16-17H,5-8,15H2,1-4H3;/b24-18+,25-23+;
InChIKeyCADVSQFOQUJUAH-RYCGKRNDSA-N
MW440.93 g/mol
LogP6.86
Rot. Bonds8

About 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium

2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium (PubChem CID 87875173) has the molecular formula C23H30N2Pd and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium.

Molecular Properties

Compound Name2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium
PubChem CID87875173
Molecular FormulaC23H30N2Pd
Molecular Weight440.93 g/mol
Exact Mass440.14
IUPAC Name2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium
SMILESCCCCC(=N\c1cccc(CC)c1)/C(C)=N/c1cccc(CC)c1.[Pd]
InChIInChI=1S/C23H30N2.Pd/c1-5-8-15-23(25-22-14-10-12-20(7-3)17-22)18(4)24-21-13-9-11-19(6-2)16-21;/h9-14,16-17H,5-8,15H2,1-4H3;/b24-18+,25-23+;
InChIKeyCADVSQFOQUJUAH-RYCGKRNDSA-N
XLogP6.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium?
The IUPAC name of 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium (CID 87875173) is 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium.
What is the SMILES notation for 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium?
The canonical SMILES for 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium is CCCCC(=N\c1cccc(CC)c1)/C(C)=N/c1cccc(CC)c1.[Pd].
What is the InChIKey of 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium?
The InChIKey is CADVSQFOQUJUAH-RYCGKRNDSA-N. The full InChI is InChI=1S/C23H30N2.Pd/c1-5-8-15-23(25-22-14-10-12-20(7-3)17-22)18(4)24-21-13-9-11-19(6-2)16-21;/h9-14,16-17H,5-8,15H2,1-4H3;/b24-18+,25-23+;.
What are the key properties of 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium?
2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium has a molecular weight of 440.93 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium is sourced from PubChem (CID 87875173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).