N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine

C31H30F3N — CID 123282054

IUPACN-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine
SMILESCCc1ccc2c(c1)C(CC/N=C(\C)c1ccc(-c3cccc(C(F)(F)F)c3)cc1)=CCC1CC21
InChIInChI=1S/C31H30F3N/c1-3-21-7-14-28-29(17-21)24(12-13-26-19-30(26)28)15-16-35-20(2)22-8-10-23(11-9-22)25-5-4-6-27(18-25)31(32,33)34/h4-12,14,17-18,26,30H,3,13,15-16,19H2,1-2H3/b35-20+
InChIKeyMVTLKFKYMFDSAZ-JEPNHJGPSA-N
MW473.58 g/mol
LogP8.72
Rot. Bonds6

About N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine

N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine (PubChem CID 123282054) has the molecular formula C31H30F3N and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine.

Molecular Properties

Compound NameN-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine
PubChem CID123282054
Molecular FormulaC31H30F3N
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC NameN-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine
SMILESCCc1ccc2c(c1)C(CC/N=C(\C)c1ccc(-c3cccc(C(F)(F)F)c3)cc1)=CCC1CC21
InChIInChI=1S/C31H30F3N/c1-3-21-7-14-28-29(17-21)24(12-13-26-19-30(26)28)15-16-35-20(2)22-8-10-23(11-9-22)25-5-4-6-27(18-25)31(32,33)34/h4-12,14,17-18,26,30H,3,13,15-16,19H2,1-2H3/b35-20+
InChIKeyMVTLKFKYMFDSAZ-JEPNHJGPSA-N
XLogP8.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine
CID 58915479
1-(4-Fluorophenyl)-7-methyl-3,4-dihydroisoquinoline
CID 78061211
1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine
CID 134877046
(4-Methylphenyl)-[2-phenyl-5-(trifluoromethyl)phenyl]methanimine
CID 135008482
(3S,4R)-1-butyl-3,4-diphenyl-6-(trifluoromethyl)-3,4-dihydroisoquinoline
CID 138975073
1-(4-Fluorophenyl)-6-methyl-3,4-dihydroisoquinoline
CID 139247515
1-(3-Fluorophenyl)-6-methyl-3,4-dihydroisoquinoline
CID 139247517
1-(3-Fluorophenyl)-7-methyl-3,4-dihydroisoquinoline
CID 139247518
1-(2-Fluorophenyl)-6-methyl-3,4-dihydroisoquinoline
CID 139247519

Frequently Asked Questions

What is the IUPAC name of N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine?
The IUPAC name of N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine (CID 123282054) is N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine.
What is the SMILES notation for N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine?
The canonical SMILES for N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine is CCc1ccc2c(c1)C(CC/N=C(\C)c1ccc(-c3cccc(C(F)(F)F)c3)cc1)=CCC1CC21.
What is the InChIKey of N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine?
The InChIKey is MVTLKFKYMFDSAZ-JEPNHJGPSA-N. The full InChI is InChI=1S/C31H30F3N/c1-3-21-7-14-28-29(17-21)24(12-13-26-19-30(26)28)15-16-35-20(2)22-8-10-23(11-9-22)25-5-4-6-27(18-25)31(32,33)34/h4-12,14,17-18,26,30H,3,13,15-16,19H2,1-2H3/b35-20+.
What are the key properties of N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine?
N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine has a molecular weight of 473.58 g/mol, XLogP of 8.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(10-ethyl-7-tricyclo[6.4.0.02,4]dodeca-1(8),6,9,11-tetraenyl)ethyl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanimine is sourced from PubChem (CID 123282054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).