3-N,4-N-diphenyldecane-3,4-diimine;nickel

C22H28N2Ni — CID 87875369

IUPAC3-N,4-N-diphenyldecane-3,4-diimine;nickel
SMILESCCCCCCC(=N\c1ccccc1)/C(CC)=N/c1ccccc1.[Ni]
InChIInChI=1S/C22H28N2.Ni/c1-3-5-6-13-18-22(24-20-16-11-8-12-17-20)21(4-2)23-19-14-9-7-10-15-19;/h7-12,14-17H,3-6,13,18H2,1-2H3;/b23-21+,24-22+;
InChIKeyPFCAKYIAXXHVJY-BAYNMDCWSA-N
MW379.17 g/mol
LogP6.91
Rot. Bonds9

About 3-N,4-N-diphenyldecane-3,4-diimine;nickel

3-N,4-N-diphenyldecane-3,4-diimine;nickel (PubChem CID 87875369) has the molecular formula C22H28N2Ni and a molecular weight of 379.17 g/mol. Its IUPAC name is 3-N,4-N-diphenyldecane-3,4-diimine;nickel.

Molecular Properties

Compound Name3-N,4-N-diphenyldecane-3,4-diimine;nickel
PubChem CID87875369
Molecular FormulaC22H28N2Ni
Molecular Weight379.17 g/mol
Exact Mass378.16
IUPAC Name3-N,4-N-diphenyldecane-3,4-diimine;nickel
SMILESCCCCCCC(=N\c1ccccc1)/C(CC)=N/c1ccccc1.[Ni]
InChIInChI=1S/C22H28N2.Ni/c1-3-5-6-13-18-22(24-20-16-11-8-12-17-20)21(4-2)23-19-14-9-7-10-15-19;/h7-12,14-17H,3-6,13,18H2,1-2H3;/b23-21+,24-22+;
InChIKeyPFCAKYIAXXHVJY-BAYNMDCWSA-N
XLogP6.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.17
LogP ≤ 56.91
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

3-N,4-N-diphenyldecane-3,4-diimine;palladium
CID 87876539
7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
CID 87874780
5-N,6-N-diphenylpentadecane-5,6-diimine;palladium
CID 87874969
6-N,7-N-diphenyldodecane-6,7-diimine;palladium
CID 87874738
3-N,4-N-bis(4-undecylphenyl)dodecane-3,4-diimine
CID 87874819
(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
CID 87911857
3-N,4-N-bis(3-tetradecylphenyl)octane-3,4-diimine;nickel
CID 87910718
6-N,7-N-diphenylpentatriacont-8-ene-6,7-diimine;nickel
CID 87911997
3-N,4-N-bis(3,4-diethylphenyl)dodecane-3,4-diimine
CID 21033316
3-N,4-N-bis(3,4-diethylphenyl)decane-3,4-diimine
CID 21033322
6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
CID 173191426
5-N,6-N-diphenyltridec-7-yne-5,6-diimine;nickel
CID 87876795

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-diphenyldecane-3,4-diimine;nickel?
The IUPAC name of 3-N,4-N-diphenyldecane-3,4-diimine;nickel (CID 87875369) is 3-N,4-N-diphenyldecane-3,4-diimine;nickel.
What is the SMILES notation for 3-N,4-N-diphenyldecane-3,4-diimine;nickel?
The canonical SMILES for 3-N,4-N-diphenyldecane-3,4-diimine;nickel is CCCCCCC(=N\c1ccccc1)/C(CC)=N/c1ccccc1.[Ni].
What is the InChIKey of 3-N,4-N-diphenyldecane-3,4-diimine;nickel?
The InChIKey is PFCAKYIAXXHVJY-BAYNMDCWSA-N. The full InChI is InChI=1S/C22H28N2.Ni/c1-3-5-6-13-18-22(24-20-16-11-8-12-17-20)21(4-2)23-19-14-9-7-10-15-19;/h7-12,14-17H,3-6,13,18H2,1-2H3;/b23-21+,24-22+;.
What are the key properties of 3-N,4-N-diphenyldecane-3,4-diimine;nickel?
3-N,4-N-diphenyldecane-3,4-diimine;nickel has a molecular weight of 379.17 g/mol, XLogP of 6.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-diphenyldecane-3,4-diimine;nickel is sourced from PubChem (CID 87875369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).