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

C42H27F6N — CID 72575215

IUPAC4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline
SMILESFc1cc(F)cc(C=Cc2ccc(N(c3ccc(C=Cc4cc(F)cc(F)c4)cc3)c3ccc(C=Cc4cc(F)cc(F)c4)cc3)cc2)c1
InChIInChI=1S/C42H27F6N/c43-34-19-31(20-35(44)25-34)4-1-28-7-13-40(14-8-28)49(41-15-9-29(10-16-41)2-5-32-21-36(45)26-37(46)22-32)42-17-11-30(12-18-42)3-6-33-23-38(47)27-39(48)24-33/h1-27H
InChIKeyGEGBNVDQQLGXCX-UHFFFAOYSA-N
MW659.67 g/mol
LogP12.50
Rot. Bonds9

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

4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline (PubChem CID 72575215) has the molecular formula C42H27F6N and a molecular weight of 659.67 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline
PubChem CID72575215
Molecular FormulaC42H27F6N
Molecular Weight659.67 g/mol
Exact Mass659.20
IUPAC Name4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline
SMILESFc1cc(F)cc(C=Cc2ccc(N(c3ccc(C=Cc4cc(F)cc(F)c4)cc3)c3ccc(C=Cc4cc(F)cc(F)c4)cc3)cc2)c1
InChIInChI=1S/C42H27F6N/c43-34-19-31(20-35(44)25-34)4-1-28-7-13-40(14-8-28)49(41-15-9-29(10-16-41)2-5-32-21-36(45)26-37(46)22-32)42-17-11-30(12-18-42)3-6-33-23-38(47)27-39(48)24-33/h1-27H
InChIKeyGEGBNVDQQLGXCX-UHFFFAOYSA-N
XLogP12.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.67
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)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

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
1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 54419898
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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
CID 85434462
4-[(E)-2-(3-tert-butyl-4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-tert-butyl-4-fluorophenyl)ethenyl]phenyl]aniline
CID 59838894
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59041372
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline (CID 72575215) is 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline is Fc1cc(F)cc(C=Cc2ccc(N(c3ccc(C=Cc4cc(F)cc(F)c4)cc3)c3ccc(C=Cc4cc(F)cc(F)c4)cc3)cc2)c1.
What is the InChIKey of 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline?
The InChIKey is GEGBNVDQQLGXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27F6N/c43-34-19-31(20-35(44)25-34)4-1-28-7-13-40(14-8-28)49(41-15-9-29(10-16-41)2-5-32-21-36(45)26-37(46)22-32)42-17-11-30(12-18-42)3-6-33-23-38(47)27-39(48)24-33/h1-27H.
What are the key properties of 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline?
4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline has a molecular weight of 659.67 g/mol, XLogP of 12.50, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 72575215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).