6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel

C24H30N2Ni — CID 173191426

IUPAC6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
SMILESCCCC=CC(=N\c1ccccc1)/C(CCCCC)=N/c1ccccc1.[Ni]
InChIInChI=1S/C24H30N2.Ni/c1-3-5-9-19-23(25-21-15-11-7-12-16-21)24(20-10-6-4-2)26-22-17-13-8-14-18-22;/h7-9,11-19H,3-6,10,20H2,1-2H3;/b19-9?,25-23+,26-24+;
InChIKeyKEZSMMCZJHBTSY-DADKIKMUSA-N
MW405.21 g/mol
LogP7.47
Rot. Bonds10

About 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel

6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel (PubChem CID 173191426) has the molecular formula C24H30N2Ni and a molecular weight of 405.21 g/mol. Its IUPAC name is 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel.

Molecular Properties

Compound Name6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
PubChem CID173191426
Molecular FormulaC24H30N2Ni
Molecular Weight405.21 g/mol
Exact Mass404.18
IUPAC Name6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
SMILESCCCC=CC(=N\c1ccccc1)/C(CCCCC)=N/c1ccccc1.[Ni]
InChIInChI=1S/C24H30N2.Ni/c1-3-5-9-19-23(25-21-15-11-7-12-16-21)24(20-10-6-4-2)26-22-17-13-8-14-18-22;/h7-9,11-19H,3-6,10,20H2,1-2H3;/b19-9?,25-23+,26-24+;
InChIKeyKEZSMMCZJHBTSY-DADKIKMUSA-N
XLogP7.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.21
LogP ≤ 57.47
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

6-N,7-N-diphenylpentatriacont-8-ene-6,7-diimine;nickel
CID 87911997
(E)-5-N,6-N-diphenyloctadec-7-ene-5,6-diimine;nickel
CID 87911566
(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
CID 21033841
(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
CID 87911857
(E)-7-N-(3,5-diethylphenyl)-8-N-phenylicos-9-ene-7,8-diimine
CID 87911066
(E)-3-N,4-N-diphenylpentacos-5-ene-3,4-diimine
CID 87875275
(E)-3-N,4-N-diphenylnonacos-5-ene-3,4-diimine
CID 87910560
5-N-(3,4-dipropylphenyl)-6-N-phenylheptadec-7-ene-5,6-diimine;nickel
CID 87910916
7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
CID 87874780
6-N,7-N-bis(3-dodecylphenyl)triacont-8-ene-6,7-diimine;nickel
CID 87912512
6-N,7-N-diphenyldodecane-6,7-diimine;palladium
CID 87874738
(E)-9-N,10-N-bis(3,5-dimethylphenyl)triacont-11-ene-9,10-diimine;nickel
CID 87911593

Frequently Asked Questions

What is the IUPAC name of 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel?
The IUPAC name of 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel (CID 173191426) is 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel.
What is the SMILES notation for 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel?
The canonical SMILES for 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel is CCCC=CC(=N\c1ccccc1)/C(CCCCC)=N/c1ccccc1.[Ni].
What is the InChIKey of 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel?
The InChIKey is KEZSMMCZJHBTSY-DADKIKMUSA-N. The full InChI is InChI=1S/C24H30N2.Ni/c1-3-5-9-19-23(25-21-15-11-7-12-16-21)24(20-10-6-4-2)26-22-17-13-8-14-18-22;/h7-9,11-19H,3-6,10,20H2,1-2H3;/b19-9?,25-23+,26-24+;.
What are the key properties of 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel?
6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel has a molecular weight of 405.21 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel is sourced from PubChem (CID 173191426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).