[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate

C38H33NO2 — CID 135297284

IUPAC[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(N(c2ccccc2)c2ccc(C=C(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C38H33NO2/c1-4-38(40)41-27-31-16-24-36(25-17-31)39(34-8-6-5-7-9-34)35-22-14-30(15-23-35)26-37(32-18-10-28(2)11-19-32)33-20-12-29(3)13-21-33/h4-26H,1,27H2,2-3H3
InChIKeyTWCARNZUKRWLAR-UHFFFAOYSA-N
MW535.69 g/mol
LogP9.59
Rot. Bonds9

About [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate

[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate (PubChem CID 135297284) has the molecular formula C38H33NO2 and a molecular weight of 535.69 g/mol. Its IUPAC name is [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate
PubChem CID135297284
Molecular FormulaC38H33NO2
Molecular Weight535.69 g/mol
Exact Mass535.25
IUPAC Name[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(N(c2ccccc2)c2ccc(C=C(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C38H33NO2/c1-4-38(40)41-27-31-16-24-36(25-17-31)39(34-8-6-5-7-9-34)35-22-14-30(15-23-35)26-37(32-18-10-28(2)11-19-32)33-20-12-29(3)13-21-33/h4-26H,1,27H2,2-3H3
InChIKeyTWCARNZUKRWLAR-UHFFFAOYSA-N
XLogP9.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(acetyloxymethyl)-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino]phenyl]methyl acetate
CID 59801352
[4-[2-[4-(4-ethylphenyl)phenyl]-1-[4-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 58520026
[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate
CID 59935411
2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]-1-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
CID 22089691
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride
CID 90823968
2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-phenylethenyl]phenyl]ethyl 2-oxopropanoate
CID 59615584
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
CID 170098385
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655

Frequently Asked Questions

What is the IUPAC name of [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate?
The IUPAC name of [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate (CID 135297284) is [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(N(c2ccccc2)c2ccc(C=C(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate?
The InChIKey is TWCARNZUKRWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33NO2/c1-4-38(40)41-27-31-16-24-36(25-17-31)39(34-8-6-5-7-9-34)35-22-14-30(15-23-35)26-37(32-18-10-28(2)11-19-32)33-20-12-29(3)13-21-33/h4-26H,1,27H2,2-3H3.
What are the key properties of [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate?
[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate has a molecular weight of 535.69 g/mol, XLogP of 9.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 135297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).