7-N,8-N-diphenyltetradecane-7,8-diimine;nickel

C26H36N2Ni — CID 87874780

IUPAC7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
SMILESCCCCCCC(=N\c1ccccc1)/C(CCCCCC)=N/c1ccccc1.[Ni]
InChIInChI=1S/C26H36N2.Ni/c1-3-5-7-15-21-25(27-23-17-11-9-12-18-23)26(22-16-8-6-4-2)28-24-19-13-10-14-20-24;/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3;/b27-25+,28-26+;
InChIKeyXTQAMXFQWBWZPT-GKSBCSGRSA-N
MW435.28 g/mol
LogP8.47
Rot. Bonds13

About 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel

7-N,8-N-diphenyltetradecane-7,8-diimine;nickel (PubChem CID 87874780) has the molecular formula C26H36N2Ni and a molecular weight of 435.28 g/mol. Its IUPAC name is 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel.

Molecular Properties

Compound Name7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
PubChem CID87874780
Molecular FormulaC26H36N2Ni
Molecular Weight435.28 g/mol
Exact Mass434.22
IUPAC Name7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
SMILESCCCCCCC(=N\c1ccccc1)/C(CCCCCC)=N/c1ccccc1.[Ni]
InChIInChI=1S/C26H36N2.Ni/c1-3-5-7-15-21-25(27-23-17-11-9-12-18-23)26(22-16-8-6-4-2)28-24-19-13-10-14-20-24;/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3;/b27-25+,28-26+;
InChIKeyXTQAMXFQWBWZPT-GKSBCSGRSA-N
XLogP8.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.28
LogP ≤ 58.47
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;nickel
CID 87875369
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-diphenyldecane-3,4-diimine;palladium
CID 87876539
(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
CID 87911857
6-N,7-N-diphenylpentatriacont-8-ene-6,7-diimine;nickel
CID 87911997
6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
CID 173191426
5-N,6-N-bis(3-hexylphenyl)tetradecane-5,6-diimine;nickel
CID 87911240
(E)-5-N,6-N-diphenyloctadec-7-ene-5,6-diimine;nickel
CID 87911566
5-N,6-N-diphenyldodecane-5,6-diimine;4-ethyl-5-propylbenzene-1,2-diolate;nickel(2+)
CID 162040579
6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
CID 87911478
5-N,6-N-diphenyltridec-7-yne-5,6-diimine;nickel
CID 87876795

Frequently Asked Questions

What is the IUPAC name of 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel?
The IUPAC name of 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel (CID 87874780) is 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel.
What is the SMILES notation for 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel?
The canonical SMILES for 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel is CCCCCCC(=N\c1ccccc1)/C(CCCCCC)=N/c1ccccc1.[Ni].
What is the InChIKey of 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel?
The InChIKey is XTQAMXFQWBWZPT-GKSBCSGRSA-N. The full InChI is InChI=1S/C26H36N2.Ni/c1-3-5-7-15-21-25(27-23-17-11-9-12-18-23)26(22-16-8-6-4-2)28-24-19-13-10-14-20-24;/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3;/b27-25+,28-26+;.
What are the key properties of 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel?
7-N,8-N-diphenyltetradecane-7,8-diimine;nickel has a molecular weight of 435.28 g/mol, XLogP of 8.47, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,8-N-diphenyltetradecane-7,8-diimine;nickel is sourced from PubChem (CID 87874780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).