4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline

C48H27F18N — CID 59858823

IUPAC4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline
SMILESFC(F)(F)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c3ccc(/C=C/c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C48H27F18N/c49-43(50,51)34-19-31(20-35(25-34)44(52,53)54)4-1-28-7-13-40(14-8-28)67(41-15-9-29(10-16-41)2-5-32-21-36(45(55,56)57)26-37(22-32)46(58,59)60)42-17-11-30(12-18-42)3-6-33-23-38(47(61,62)63)27-39(24-33)48(64,65)66/h1-27H/b4-1+,5-2+,6-3+
InChIKeyHMDCRWIMEMDUDO-GZDDRBCLSA-N
MW959.71 g/mol
LogP17.78
Rot. Bonds9

About 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline

4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline (PubChem CID 59858823) has the molecular formula C48H27F18N and a molecular weight of 959.71 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline
PubChem CID59858823
Molecular FormulaC48H27F18N
Molecular Weight959.71 g/mol
Exact Mass959.19
IUPAC Name4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline
SMILESFC(F)(F)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c3ccc(/C=C/c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C48H27F18N/c49-43(50,51)34-19-31(20-35(25-34)44(52,53)54)4-1-28-7-13-40(14-8-28)67(41-15-9-29(10-16-41)2-5-32-21-36(45(55,56)57)26-37(22-32)46(58,59)60)42-17-11-30(12-18-42)3-6-33-23-38(47(61,62)63)27-39(24-33)48(64,65)66/h1-27H/b4-1+,5-2+,6-3+
InChIKeyHMDCRWIMEMDUDO-GZDDRBCLSA-N
XLogP17.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.71
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline 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

N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
CID 138690611
N,N-bis[4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]aniline
CID 143481047
4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline
CID 72575215
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 162548481
1-N,1-N,3-N,3-N,5-N,5-N-hexakis[3,5-bis(trifluoromethyl)phenyl]benzene-1,3,5-triamine
CID 58868333
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
4-[4-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-N-[4-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]phenyl]anilino]benzaldehyde
CID 139258657

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline (CID 59858823) is 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline is FC(F)(F)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c3ccc(/C=C/c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline?
The InChIKey is HMDCRWIMEMDUDO-GZDDRBCLSA-N. The full InChI is InChI=1S/C48H27F18N/c49-43(50,51)34-19-31(20-35(25-34)44(52,53)54)4-1-28-7-13-40(14-8-28)67(41-15-9-29(10-16-41)2-5-32-21-36(45(55,56)57)26-37(22-32)46(58,59)60)42-17-11-30(12-18-42)3-6-33-23-38(47(61,62)63)27-39(24-33)48(64,65)66/h1-27H/b4-1+,5-2+,6-3+.
What are the key properties of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline?
4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline has a molecular weight of 959.71 g/mol, XLogP of 17.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 59858823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).