(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel

C23H28N2Ni — CID 87911857

IUPAC(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
SMILESC/C=C\C(=N/c1ccccc1)\C(CCCCCC)=N\c1ccccc1.[Ni]
InChIInChI=1S/C23H28N2.Ni/c1-3-5-6-13-19-23(25-21-17-11-8-12-18-21)22(14-4-2)24-20-15-9-7-10-16-20;/h4,7-12,14-18H,3,5-6,13,19H2,1-2H3;/b14-4-,24-22+,25-23+;
InChIKeyOIBPQRXDESOJPE-ASOPHCEKSA-N
MW391.18 g/mol
LogP7.08
Rot. Bonds9

About (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel

(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel (PubChem CID 87911857) has the molecular formula C23H28N2Ni and a molecular weight of 391.18 g/mol. Its IUPAC name is (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel.

Molecular Properties

Compound Name(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
PubChem CID87911857
Molecular FormulaC23H28N2Ni
Molecular Weight391.18 g/mol
Exact Mass390.16
IUPAC Name(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
SMILESC/C=C\C(=N/c1ccccc1)\C(CCCCCC)=N\c1ccccc1.[Ni]
InChIInChI=1S/C23H28N2.Ni/c1-3-5-6-13-19-23(25-21-17-11-8-12-18-21)22(14-4-2)24-20-15-9-7-10-16-20;/h4,7-12,14-18H,3,5-6,13,19H2,1-2H3;/b14-4-,24-22+,25-23+;
InChIKeyOIBPQRXDESOJPE-ASOPHCEKSA-N
XLogP7.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.18
LogP ≤ 57.08
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
(Z)-4-N,5-N-bis(4-heptadecylphenyl)tridec-2-ene-4,5-diimine;nickel
CID 87910714
6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
CID 173191426
(E)-5-N,6-N-diphenyloctadec-7-ene-5,6-diimine;nickel
CID 87911566
(Z)-4-N,5-N-bis(4-heptadecylphenyl)tridec-2-ene-4,5-diimine
CID 87910715
7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
CID 87874780
(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
CID 21033841
(Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine
CID 87912225
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
(E)-7-N-(3,5-diethylphenyl)-8-N-phenylicos-9-ene-7,8-diimine
CID 87911066

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel?
The IUPAC name of (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel (CID 87911857) is (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel.
What is the SMILES notation for (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel?
The canonical SMILES for (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel is C/C=C\C(=N/c1ccccc1)\C(CCCCCC)=N\c1ccccc1.[Ni].
What is the InChIKey of (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel?
The InChIKey is OIBPQRXDESOJPE-ASOPHCEKSA-N. The full InChI is InChI=1S/C23H28N2.Ni/c1-3-5-6-13-19-23(25-21-17-11-8-12-18-21)22(14-4-2)24-20-15-9-7-10-16-20;/h4,7-12,14-18H,3,5-6,13,19H2,1-2H3;/b14-4-,24-22+,25-23+;.
What are the key properties of (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel?
(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel has a molecular weight of 391.18 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel is sourced from PubChem (CID 87911857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).