6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium

C32H48N2Pd — CID 87911026

IUPAC6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium
SMILESCCCCCc1ccc(/N=C(CCCC)/C(CCCC)=N/c2ccccc2)cc1CCCCC.[Pd]
InChIInChI=1S/C32H48N2.Pd/c1-5-9-14-18-27-24-25-30(26-28(27)19-15-10-6-2)34-32(23-12-8-4)31(22-11-7-3)33-29-20-16-13-17-21-29;/h13,16-17,20-21,24-26H,5-12,14-15,18-19,22-23H2,1-4H3;/b33-31+,34-32+;
InChIKeyXFNZWVZKJOMCKD-KQOFJJDPSA-N
MW567.17 g/mol
LogP10.38
Rot. Bonds17

About 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium

6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium (PubChem CID 87911026) has the molecular formula C32H48N2Pd and a molecular weight of 567.17 g/mol. Its IUPAC name is 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium.

Molecular Properties

Compound Name6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium
PubChem CID87911026
Molecular FormulaC32H48N2Pd
Molecular Weight567.17 g/mol
Exact Mass566.29
IUPAC Name6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium
SMILESCCCCCc1ccc(/N=C(CCCC)/C(CCCC)=N/c2ccccc2)cc1CCCCC.[Pd]
InChIInChI=1S/C32H48N2.Pd/c1-5-9-14-18-27-24-25-30(26-28(27)19-15-10-6-2)34-32(23-12-8-4)31(22-11-7-3)33-29-20-16-13-17-21-29;/h13,16-17,20-21,24-26H,5-12,14-15,18-19,22-23H2,1-4H3;/b33-31+,34-32+;
InChIKeyXFNZWVZKJOMCKD-KQOFJJDPSA-N
XLogP10.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.17
LogP ≤ 510.38
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-dipentylphenyl)dodecane-5,6-diimine;nickel
CID 87875187
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-dipropylphenyl)undecane-5,6-diimine;palladium
CID 87912016
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-dibutylphenyl)decane-5,6-diimine;nickel
CID 87875213
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-dipropylphenyl)tetradecane-5,6-diimine
CID 21033446
5-N,6-N-bis(3,4-dipropylphenyl)decane-5,6-diimine;nickel
CID 87874695
7-N,8-N-bis(3,4-dipropylphenyl)triacontane-7,8-diimine
CID 87911926

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium?
The IUPAC name of 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium (CID 87911026) is 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium.
What is the SMILES notation for 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium?
The canonical SMILES for 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium is CCCCCc1ccc(/N=C(CCCC)/C(CCCC)=N/c2ccccc2)cc1CCCCC.[Pd].
What is the InChIKey of 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium?
The InChIKey is XFNZWVZKJOMCKD-KQOFJJDPSA-N. The full InChI is InChI=1S/C32H48N2.Pd/c1-5-9-14-18-27-24-25-30(26-28(27)19-15-10-6-2)34-32(23-12-8-4)31(22-11-7-3)33-29-20-16-13-17-21-29;/h13,16-17,20-21,24-26H,5-12,14-15,18-19,22-23H2,1-4H3;/b33-31+,34-32+;.
What are the key properties of 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium?
6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium has a molecular weight of 567.17 g/mol, XLogP of 10.38, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium is sourced from PubChem (CID 87911026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).