2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel

C25H34N2Ni — CID 87875058

IUPAC2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel
SMILESCCCCCCCCCCc1ccc(/N=C(C)/C=N/c2ccccc2)cc1.[Ni]
InChIInChI=1S/C25H34N2.Ni/c1-3-4-5-6-7-8-9-11-14-23-17-19-25(20-18-23)27-22(2)21-26-24-15-12-10-13-16-24;/h10,12-13,15-21H,3-9,11,14H2,1-2H3;/b26-21+,27-22+;
InChIKeyWKDMHHRHXAGGJP-OZPLOXNPSA-N
MW421.25 g/mol
LogP7.86
Rot. Bonds12

About 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel

2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel (PubChem CID 87875058) has the molecular formula C25H34N2Ni and a molecular weight of 421.25 g/mol. Its IUPAC name is 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel.

Molecular Properties

Compound Name2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel
PubChem CID87875058
Molecular FormulaC25H34N2Ni
Molecular Weight421.25 g/mol
Exact Mass420.21
IUPAC Name2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel
SMILESCCCCCCCCCCc1ccc(/N=C(C)/C=N/c2ccccc2)cc1.[Ni]
InChIInChI=1S/C25H34N2.Ni/c1-3-4-5-6-7-8-9-11-14-23-17-19-25(20-18-23)27-22(2)21-26-24-15-12-10-13-16-24;/h10,12-13,15-21H,3-9,11,14H2,1-2H3;/b26-21+,27-22+;
InChIKeyWKDMHHRHXAGGJP-OZPLOXNPSA-N
XLogP7.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.25
LogP ≤ 57.86
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

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CID 87910681
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CID 87911170
(E)-1-N,2-N-bis(4-heptylphenyl)heptacos-3-ene-1,2-diimine;nickel
CID 87912400
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CID 90001206
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CID 87912567
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CID 71385175
5-N,6-N-bis(4-tricosylphenyl)decane-5,6-diimine
CID 87910659
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel?
The IUPAC name of 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel (CID 87875058) is 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel.
What is the SMILES notation for 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel?
The canonical SMILES for 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel is CCCCCCCCCCc1ccc(/N=C(C)/C=N/c2ccccc2)cc1.[Ni].
What is the InChIKey of 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel?
The InChIKey is WKDMHHRHXAGGJP-OZPLOXNPSA-N. The full InChI is InChI=1S/C25H34N2.Ni/c1-3-4-5-6-7-8-9-11-14-23-17-19-25(20-18-23)27-22(2)21-26-24-15-12-10-13-16-24;/h10,12-13,15-21H,3-9,11,14H2,1-2H3;/b26-21+,27-22+;.
What are the key properties of 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel?
2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel has a molecular weight of 421.25 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-decylphenyl)-1-N-phenylpropane-1,2-diimine;nickel is sourced from PubChem (CID 87875058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).