5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium

C35H54N2Pd — CID 87912016

IUPAC5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium
SMILESCCCCCC(=N\c1ccc(CCC)c(CCC)c1)/C(CCCC)=N/c1ccc(CCC)c(CCC)c1.[Pd]
InChIInChI=1S/C35H54N2.Pd/c1-7-13-15-21-35(37-33-25-23-29(17-10-4)31(27-33)19-12-6)34(20-14-8-2)36-32-24-22-28(16-9-3)30(26-32)18-11-5;/h22-27H,7-21H2,1-6H3;/b36-34+,37-35+;
InChIKeySLIWEBWOLDADRW-KTLQDXEESA-N
MW609.25 g/mol
LogP11.11
Rot. Bonds18

About 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium

5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium (PubChem CID 87912016) has the molecular formula C35H54N2Pd and a molecular weight of 609.25 g/mol. Its IUPAC name is 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium.

Molecular Properties

Compound Name5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium
PubChem CID87912016
Molecular FormulaC35H54N2Pd
Molecular Weight609.25 g/mol
Exact Mass608.33
IUPAC Name5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium
SMILESCCCCCC(=N\c1ccc(CCC)c(CCC)c1)/C(CCCC)=N/c1ccc(CCC)c(CCC)c1.[Pd]
InChIInChI=1S/C35H54N2.Pd/c1-7-13-15-21-35(37-33-25-23-29(17-10-4)31(27-33)19-12-6)34(20-14-8-2)36-32-24-22-28(16-9-3)30(26-32)18-11-5;/h22-27H,7-21H2,1-6H3;/b36-34+,37-35+;
InChIKeySLIWEBWOLDADRW-KTLQDXEESA-N
XLogP11.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.25
LogP ≤ 511.11
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-bis(3,4-dipropylphenyl)tetradecane-5,6-diimine
CID 21033446
7-N,8-N-bis(3,4-dipropylphenyl)triacontane-7,8-diimine
CID 87911926
6-N,7-N-bis(3,4-dipropylphenyl)pentadecane-6,7-diimine;nickel
CID 87874947
5-N,6-N-bis(3,4-dipropylphenyl)decane-5,6-diimine;nickel
CID 87874695
5-N,6-N-bis(3,4-dibutylphenyl)undecane-5,6-diimine
CID 21033263
5-N,6-N-bis(3,4-dibutylphenyl)dodecane-5,6-diimine
CID 21033195
5-N,6-N-bis(3,4-dibutylphenyl)hexadecane-5,6-diimine
CID 21033211
6-N,7-N-bis(3,4-dibutylphenyl)dodecane-6,7-diimine
CID 87911804
5-N,6-N-bis(3,4-dipentylphenyl)dodecane-5,6-diimine;nickel
CID 87875187
5-N,6-N-bis(3,4-dibutylphenyl)hexadecane-5,6-diimine;nickel
CID 87910704
6-N,7-N-bis(3,4-dibutylphenyl)dodecane-6,7-diimine;nickel
CID 87911803
5-N,6-N-bis(3,4-dibutylphenyl)decane-5,6-diimine;nickel
CID 87875213

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium?
The IUPAC name of 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium (CID 87912016) is 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium.
What is the SMILES notation for 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium?
The canonical SMILES for 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium is CCCCCC(=N\c1ccc(CCC)c(CCC)c1)/C(CCCC)=N/c1ccc(CCC)c(CCC)c1.[Pd].
What is the InChIKey of 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium?
The InChIKey is SLIWEBWOLDADRW-KTLQDXEESA-N. The full InChI is InChI=1S/C35H54N2.Pd/c1-7-13-15-21-35(37-33-25-23-29(17-10-4)31(27-33)19-12-6)34(20-14-8-2)36-32-24-22-28(16-9-3)30(26-32)18-11-5;/h22-27H,7-21H2,1-6H3;/b36-34+,37-35+;.
What are the key properties of 5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium?
5-N,6-N-bis(3,4-dipropylphenyl)undecane-5,6-diimine;palladium has a molecular weight of 609.25 g/mol, XLogP of 11.11, 18 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(3,4-dipropylphenyl)undecane-5,6-diimine;palladium is sourced from PubChem (CID 87912016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).