1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel

C22H26N2Ni — CID 87911957

IUPAC1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel
SMILESCC/C=C/c1ccc(/N=C/C(CCCC)=N/c2ccccc2)cc1.[Ni]
InChIInChI=1S/C22H26N2.Ni/c1-3-5-10-19-14-16-20(17-15-19)23-18-22(11-6-4-2)24-21-12-8-7-9-13-21;/h5,7-10,12-18H,3-4,6,11H2,1-2H3;/b10-5+,23-18+,24-22+;
InChIKeyRAZSSHVSEGRFPS-ISLCIVNESA-N
MW377.16 g/mol
LogP6.77
Rot. Bonds8

About 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel

1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel (PubChem CID 87911957) has the molecular formula C22H26N2Ni and a molecular weight of 377.16 g/mol. Its IUPAC name is 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel.

Molecular Properties

Compound Name1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel
PubChem CID87911957
Molecular FormulaC22H26N2Ni
Molecular Weight377.16 g/mol
Exact Mass376.14
IUPAC Name1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel
SMILESCC/C=C/c1ccc(/N=C/C(CCCC)=N/c2ccccc2)cc1.[Ni]
InChIInChI=1S/C22H26N2.Ni/c1-3-5-10-19-14-16-20(17-15-19)23-18-22(11-6-4-2)24-21-12-8-7-9-13-21;/h5,7-10,12-18H,3-4,6,11H2,1-2H3;/b10-5+,23-18+,24-22+;
InChIKeyRAZSSHVSEGRFPS-ISLCIVNESA-N
XLogP6.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.16
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(4-henicos-1-enylphenyl)heptane-1,2-diimine;nickel
CID 173191390
1-N,2-N-bis(4-prop-1-enylphenyl)heptane-1,2-diimine
CID 87912107
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine;nickel
CID 87875435
1-N-(3,5-dibutylphenyl)-2-N-(4-docos-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191313
1-N-(3,5-dipentylphenyl)-2-N-(4-dodec-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191328
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
CID 87875436
4,5-dimethylbenzene-1,2-diolate;1-N,2-N-diphenylhexane-1,2-diimine;nickel(2+)
CID 158240323
1-N,2-N-bis(4-octylphenyl)hexane-1,2-diimine
CID 87910681
1-N,2-N-bis(3-tetradec-1-enylphenyl)hexane-1,2-diimine;palladium
CID 173191341
1-N,2-N-bis(3-icos-1-enylphenyl)hexane-1,2-diimine;palladium
CID 173191286
1-N,2-N-diphenylhexane-1,2-diimine;nickel(2+);5-pentyl-3-propylbenzene-1,2-diolate
CID 159332092
1-N,2-N-bis(2-hex-3-enylphenyl)hexane-1,2-diimine
CID 173191350

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel?
The IUPAC name of 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel (CID 87911957) is 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel.
What is the SMILES notation for 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel?
The canonical SMILES for 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel is CC/C=C/c1ccc(/N=C/C(CCCC)=N/c2ccccc2)cc1.[Ni].
What is the InChIKey of 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel?
The InChIKey is RAZSSHVSEGRFPS-ISLCIVNESA-N. The full InChI is InChI=1S/C22H26N2.Ni/c1-3-5-10-19-14-16-20(17-15-19)23-18-22(11-6-4-2)24-21-12-8-7-9-13-21;/h5,7-10,12-18H,3-4,6,11H2,1-2H3;/b10-5+,23-18+,24-22+;.
What are the key properties of 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel?
1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel has a molecular weight of 377.16 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[(E)-but-1-enyl]phenyl]-2-N-phenylhexane-1,2-diimine;nickel is sourced from PubChem (CID 87911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).