N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C39H27F12N3 — CID 89361462

IUPACN-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C)c1cccc(/C(C)=N/c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2C)n1
InChIInChI=1S/C39H27F12N3/c1-20-8-10-24(26-12-28(36(40,41)42)18-29(13-26)37(43,44)45)16-34(20)52-22(3)32-6-5-7-33(54-32)23(4)53-35-17-25(11-9-21(35)2)27-14-30(38(46,47)48)19-31(15-27)39(49,50)51/h5-19H,1-4H3/b52-22+,53-23+
InChIKeyZSMNPVFUXLZWON-DOJDNNDLSA-N
MW765.64 g/mol
LogP13.39
Rot. Bonds6

About N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 89361462) has the molecular formula C39H27F12N3 and a molecular weight of 765.64 g/mol. Its IUPAC name is N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
PubChem CID89361462
Molecular FormulaC39H27F12N3
Molecular Weight765.64 g/mol
Exact Mass765.20
IUPAC NameN-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C)c1cccc(/C(C)=N/c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2C)n1
InChIInChI=1S/C39H27F12N3/c1-20-8-10-24(26-12-28(36(40,41)42)18-29(13-26)37(43,44)45)16-34(20)52-22(3)32-6-5-7-33(54-32)23(4)53-35-17-25(11-9-21(35)2)27-14-30(38(46,47)48)19-31(15-27)39(49,50)51/h5-19H,1-4H3/b52-22+,53-23+
InChIKeyZSMNPVFUXLZWON-DOJDNNDLSA-N
XLogP13.39
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.64
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]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

Benz(c)acridine
CID 9181
DIBENZ(a,h)ACRIDINE
CID 9183
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165
3-Fluoro-5-(2-methylquinolin-7-yl)benzonitrile
CID 23661671
7,10-Dimethylbenz(c)acridine
CID 16936
2,4,6-Triphenylpyridine
CID 136370
2-(3-(2-Methylquinolin-7-yl)phenyl)acetonitrile
CID 44432658
5-(2-Methylquinolin-7-yl)-2-phenylbenzonitrile
CID 46888045
2-Methyl-7-phenylquinoline
CID 44427376
1,3-Diphenyl-benzo(F)quinoline
CID 3094016
2-Phenylbenzo(h)quinoline
CID 3669703

Frequently Asked Questions

What is the IUPAC name of N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 89361462) is N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C)c1cccc(/C(C)=N/c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2C)n1.
What is the InChIKey of N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The InChIKey is ZSMNPVFUXLZWON-DOJDNNDLSA-N. The full InChI is InChI=1S/C39H27F12N3/c1-20-8-10-24(26-12-28(36(40,41)42)18-29(13-26)37(43,44)45)16-34(20)52-22(3)32-6-5-7-33(54-32)23(4)53-35-17-25(11-9-21(35)2)27-14-30(38(46,47)48)19-31(15-27)39(49,50)51/h5-19H,1-4H3/b52-22+,53-23+.
What are the key properties of N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 765.64 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[5-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 89361462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).