(E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine

C19H18F3NSi — CID 58611146

IUPAC(E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1cc2ccccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C19H18F3NSi/c1-24(2,3)23-18(19(20,21)22)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17/h4-12H,1-3H3/b23-18+
InChIKeyGWZGVJRIHKUMTP-PTGBLXJZSA-N
MW345.44 g/mol
LogP6.18
Rot. Bonds2

About (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine

(E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine (PubChem CID 58611146) has the molecular formula C19H18F3NSi and a molecular weight of 345.44 g/mol. Its IUPAC name is (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine.

Molecular Properties

Compound Name(E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine
PubChem CID58611146
Molecular FormulaC19H18F3NSi
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name(E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1cc2ccccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C19H18F3NSi/c1-24(2,3)23-18(19(20,21)22)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17/h4-12H,1-3H3/b23-18+
InChIKeyGWZGVJRIHKUMTP-PTGBLXJZSA-N
XLogP6.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine
CID 58611159
(2-Benzylphenyl)(2-naphthyl)methanimine
CID 418273
1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine
CID 58915479
(E)-1-Naphthalen-2-yl-N-[(E)-1-naphthalen-2-ylethylideneamino]ethanimine
CID 9582864
(4-Methylphenyl)-[2-phenyl-5-(trifluoromethyl)phenyl]methanimine
CID 135008482
(4-Methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine
CID 135053562
Dimethyl(naphthalen-2-yl(phenyl)methyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 168720153
1-(2-Naphthyl)-2,2,2-trifluoroethanimine
CID 12164764
1-(9-Phenanthryl)-2,2,2-trifluoroethanimine
CID 12164766
1-(2-fluoronaphthalen-1-yl)-N-methyl-1-phenylmethanimine
CID 57687897
(E)-2,2,2-trifluoro-1-naphthalen-2-yl-N-trimethylsilylethanimine
CID 58611157
2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine
CID 59157285

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine?
The IUPAC name of (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine (CID 58611146) is (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine.
What is the SMILES notation for (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine?
The canonical SMILES for (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine is C[Si](C)(C)/N=C(\c1cc2ccccc2c2ccccc12)C(F)(F)F.
What is the InChIKey of (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine?
The InChIKey is GWZGVJRIHKUMTP-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H18F3NSi/c1-24(2,3)23-18(19(20,21)22)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17/h4-12H,1-3H3/b23-18+.
What are the key properties of (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine?
(E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine has a molecular weight of 345.44 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine is sourced from PubChem (CID 58611146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).