N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine

C19H20N2OSi — CID 10870926

IUPACN-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine
SMILESCOc1ccc(N=C=Nc2ccccc2C#C[Si](C)(C)C)cc1
InChIInChI=1S/C19H20N2OSi/c1-22-18-11-9-17(10-12-18)20-15-21-19-8-6-5-7-16(19)13-14-23(2,3)4/h5-12H,1-4H3
InChIKeyZCRIFLXQCPLKFD-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.06
Rot. Bonds3

About N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine

N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine (PubChem CID 10870926) has the molecular formula C19H20N2OSi and a molecular weight of 320.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine
PubChem CID10870926
Molecular FormulaC19H20N2OSi
Molecular Weight320.47 g/mol
Exact Mass320.13
IUPAC NameN-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine
SMILESCOc1ccc(N=C=Nc2ccccc2C#C[Si](C)(C)C)cc1
InChIInChI=1S/C19H20N2OSi/c1-22-18-11-9-17(10-12-18)20-15-21-19-8-6-5-7-16(19)13-14-23(2,3)4/h5-12H,1-4H3
InChIKeyZCRIFLXQCPLKFD-UHFFFAOYSA-N
XLogP5.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]ethenimine
CID 10832689
anisole;N,N'-diphenylmethanediimine
CID 157139667
N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine
CID 10489748
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
CID 102153351
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane
CID 15478527
bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429
4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 15531435
2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
CID 139256605

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine?
The IUPAC name of N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine (CID 10870926) is N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine is COc1ccc(N=C=Nc2ccccc2C#C[Si](C)(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine?
The InChIKey is ZCRIFLXQCPLKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OSi/c1-22-18-11-9-17(10-12-18)20-15-21-19-8-6-5-7-16(19)13-14-23(2,3)4/h5-12H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine?
N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine has a molecular weight of 320.47 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-[2-(2-trimethylsilylethynyl)phenyl]methanediimine is sourced from PubChem (CID 10870926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).