5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel

C32H52N2NiSi2 — CID 87876556

IUPAC5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel
SMILESCCCCC(=N\c1cccc(CC[Si](C)(C)C)c1)/C(CCCC)=N/c1cccc(CC[Si](C)(C)C)c1.[Ni]
InChIInChI=1S/C32H52N2Si2.Ni/c1-9-11-19-31(33-29-17-13-15-27(25-29)21-23-35(3,4)5)32(20-12-10-2)34-30-18-14-16-28(26-30)22-24-36(6,7)8;/h13-18,25-26H,9-12,19-24H2,1-8H3;/b33-31+,34-32+;
InChIKeyUPLDWHWVMBRIEQ-KQOFJJDPSA-N
MW579.65 g/mol
LogP10.67
Rot. Bonds15

About 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel

5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel (PubChem CID 87876556) has the molecular formula C32H52N2NiSi2 and a molecular weight of 579.65 g/mol. Its IUPAC name is 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel.

Molecular Properties

Compound Name5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel
PubChem CID87876556
Molecular FormulaC32H52N2NiSi2
Molecular Weight579.65 g/mol
Exact Mass578.30
IUPAC Name5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel
SMILESCCCCC(=N\c1cccc(CC[Si](C)(C)C)c1)/C(CCCC)=N/c1cccc(CC[Si](C)(C)C)c1.[Ni]
InChIInChI=1S/C32H52N2Si2.Ni/c1-9-11-19-31(33-29-17-13-15-27(25-29)21-23-35(3,4)5)32(20-12-10-2)34-30-18-14-16-28(26-30)22-24-36(6,7)8;/h13-18,25-26H,9-12,19-24H2,1-8H3;/b33-31+,34-32+;
InChIKeyUPLDWHWVMBRIEQ-KQOFJJDPSA-N
XLogP10.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.65
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-N,6-N-bis(3-nonadecylphenyl)decane-5,6-diimine;nickel
CID 87901125
5-N,6-N-bis(3-octylphenyl)decane-5,6-diimine;nickel
CID 87911468
5-N,6-N-bis(3-hexylphenyl)tetradecane-5,6-diimine;nickel
CID 87911240
5-N,6-N-bis(3-pentadecylphenyl)dotriacontane-5,6-diimine
CID 21033674
3-N,4-N-bis(3-tetradecylphenyl)octane-3,4-diimine;nickel
CID 87910718
6-N-(3,5-dimethylphenyl)-5-N-(3-heptadecylphenyl)undecane-5,6-diimine;palladium
CID 87901192
2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium
CID 87875173
6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
CID 87911478
5-N,6-N-bis(3,5-dibutylphenyl)decane-5,6-diimine;nickel
CID 87875762
nickel;3-N-(4-tridecylphenyl)-2-N-[3-(2-trimethylsilylethyl)phenyl]pentacos-4-ene-2,3-diimine
CID 87912146
6-N,7-N-bis(3-dodecylphenyl)triacont-8-ene-6,7-diimine;nickel
CID 87912512
5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium
CID 87876553

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel?
The IUPAC name of 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel (CID 87876556) is 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel.
What is the SMILES notation for 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel?
The canonical SMILES for 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel is CCCCC(=N\c1cccc(CC[Si](C)(C)C)c1)/C(CCCC)=N/c1cccc(CC[Si](C)(C)C)c1.[Ni].
What is the InChIKey of 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel?
The InChIKey is UPLDWHWVMBRIEQ-KQOFJJDPSA-N. The full InChI is InChI=1S/C32H52N2Si2.Ni/c1-9-11-19-31(33-29-17-13-15-27(25-29)21-23-35(3,4)5)32(20-12-10-2)34-30-18-14-16-28(26-30)22-24-36(6,7)8;/h13-18,25-26H,9-12,19-24H2,1-8H3;/b33-31+,34-32+;.
What are the key properties of 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel?
5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel has a molecular weight of 579.65 g/mol, XLogP of 10.67, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis[3-(2-trimethylsilylethyl)phenyl]decane-5,6-diimine;nickel is sourced from PubChem (CID 87876556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).