1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine

C26H17F12N — CID 134877046

IUPAC1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine
SMILESFC(F)(F)c1cc(C(=NCCCc2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H17F12N/c27-23(28,29)18-9-16(10-19(13-18)24(30,31)32)22(39-8-4-7-15-5-2-1-3-6-15)17-11-20(25(33,34)35)14-21(12-17)26(36,37)38/h1-3,5-6,9-14H,4,7-8H2
InChIKeyNZOAFNCISJFMTA-UHFFFAOYSA-N
MW571.41 g/mol
LogP9.23
Rot. Bonds6

About 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine

1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine (PubChem CID 134877046) has the molecular formula C26H17F12N and a molecular weight of 571.41 g/mol. Its IUPAC name is 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine.

Molecular Properties

Compound Name1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine
PubChem CID134877046
Molecular FormulaC26H17F12N
Molecular Weight571.41 g/mol
Exact Mass571.12
IUPAC Name1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine
SMILESFC(F)(F)c1cc(C(=NCCCc2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H17F12N/c27-23(28,29)18-9-16(10-19(13-18)24(30,31)32)22(39-8-4-7-15-5-2-1-3-6-15)17-11-20(25(33,34)35)14-21(12-17)26(36,37)38/h1-3,5-6,9-14H,4,7-8H2
InChIKeyNZOAFNCISJFMTA-UHFFFAOYSA-N
XLogP9.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.41
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
CID 407360
Benzylamine, N-(diphenylmethylene)-
CID 290996
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
4-[3,5-bis(trifluoromethyl)phenyl]-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614095
5,8-diphenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 85614111
7-phenyl-4-[4-(trifluoromethyl)phenyl]-5H-benzo[d][2]benzazepine
CID 85614114
5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 86185793
2,3-Bis(4-fluorophenyl)-5,6-dihydropyrazine
CID 12342949
1-(4-Fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
CID 12851822
N-Benzhydryl-4-(trifluoromethyl)benzenemethaneimine
CID 15255743
1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine
CID 58915479
(4R)-2,4beta-Diphenyl-4-(trifluoromethyl)-1-pyrroline
CID 59051782

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine?
The IUPAC name of 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine (CID 134877046) is 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine.
What is the SMILES notation for 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine?
The canonical SMILES for 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine is FC(F)(F)c1cc(C(=NCCCc2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine?
The InChIKey is NZOAFNCISJFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F12N/c27-23(28,29)18-9-16(10-19(13-18)24(30,31)32)22(39-8-4-7-15-5-2-1-3-6-15)17-11-20(25(33,34)35)14-21(12-17)26(36,37)38/h1-3,5-6,9-14H,4,7-8H2.
What are the key properties of 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine?
1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine has a molecular weight of 571.41 g/mol, XLogP of 9.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine is sourced from PubChem (CID 134877046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).