4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline

C29H26FN — CID 143254565

IUPAC4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
SMILESCC1C=CC(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/F)cc3)cc2)=CC1
InChIInChI=1S/C29H26FN/c1-23-7-17-28(18-8-23)31(27-5-3-2-4-6-27)29-19-15-25(16-20-29)10-9-24-11-13-26(14-12-24)21-22-30/h2-7,9-23H,8H2,1H3/b10-9+,22-21+
InChIKeyNWBQDNQZNNZPSF-RHCBPBRXSA-N
MW407.53 g/mol
LogP8.42
Rot. Bonds6

About 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline

4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline (PubChem CID 143254565) has the molecular formula C29H26FN and a molecular weight of 407.53 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
PubChem CID143254565
Molecular FormulaC29H26FN
Molecular Weight407.53 g/mol
Exact Mass407.20
IUPAC Name4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
SMILESCC1C=CC(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/F)cc3)cc2)=CC1
InChIInChI=1S/C29H26FN/c1-23-7-17-28(18-8-23)31(27-5-3-2-4-6-27)29-19-15-25(16-20-29)10-9-24-11-13-26(14-12-24)21-22-30/h2-7,9-23H,8H2,1H3/b10-9+,22-21+
InChIKeyNWBQDNQZNNZPSF-RHCBPBRXSA-N
XLogP8.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenyl-3-[(E)-2-phenylethenyl]-4-[3-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]aniline
CID 163791718
N-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]phenyl]triphenylen-2-amine
CID 134321142
6-N-(4-methylcyclohexa-1,5-dien-1-yl)-6-N,12-N-bis(4-methylphenyl)-12-N-phenylchrysene-6,12-diamine
CID 155198350
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
CID 89020124
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-[(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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129131363
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 170063875
7-N-(9-fluorodibenzothiophen-2-yl)-2-N-(4-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 154955210
4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde
CID 146953475
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline (CID 143254565) is 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline is CC1C=CC(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/F)cc3)cc2)=CC1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline?
The InChIKey is NWBQDNQZNNZPSF-RHCBPBRXSA-N. The full InChI is InChI=1S/C29H26FN/c1-23-7-17-28(18-8-23)31(27-5-3-2-4-6-27)29-19-15-25(16-20-29)10-9-24-11-13-26(14-12-24)21-22-30/h2-7,9-23H,8H2,1H3/b10-9+,22-21+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline?
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline has a molecular weight of 407.53 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline is sourced from PubChem (CID 143254565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).