2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate

C37H33NO2 — CID 59399913

IUPAC2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(CCc2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H33NO2/c1-2-37(39)40-28-27-31-17-15-29(16-18-31)13-14-30-19-23-35(24-20-30)38(34-11-7-4-8-12-34)36-25-21-33(22-26-36)32-9-5-3-6-10-32/h2-12,15-26H,1,13-14,27-28H2
InChIKeyUHUGENCSJCSUJC-UHFFFAOYSA-N
MW523.68 g/mol
LogP8.88
Rot. Bonds11

About 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate

2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate (PubChem CID 59399913) has the molecular formula C37H33NO2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
PubChem CID59399913
Molecular FormulaC37H33NO2
Molecular Weight523.68 g/mol
Exact Mass523.25
IUPAC Name2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(CCc2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H33NO2/c1-2-37(39)40-28-27-31-17-15-29(16-18-31)13-14-30-19-23-35(24-20-30)38(34-11-7-4-8-12-34)36-25-21-33(22-26-36)32-9-5-3-6-10-32/h2-12,15-26H,1,13-14,27-28H2
InChIKeyUHUGENCSJCSUJC-UHFFFAOYSA-N
XLogP8.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
2-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]ethyl prop-2-enoate
CID 170007474
2-[4-[N-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl prop-2-enoate
CID 59935405
3-[4-[4-(3-buta-1,3-dien-2-yloxypropyl)-N-(4-phenylphenyl)anilino]phenyl]propyl prop-2-enoate
CID 170284469
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
CID 58571420
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
3-[3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]-5-(3-prop-2-enoyloxypropyl)phenyl]propyl prop-2-enoate
CID 58876614
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate (CID 59399913) is 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(CCc2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate?
The InChIKey is UHUGENCSJCSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33NO2/c1-2-37(39)40-28-27-31-17-15-29(16-18-31)13-14-30-19-23-35(24-20-30)38(34-11-7-4-8-12-34)36-25-21-33(22-26-36)32-9-5-3-6-10-32/h2-12,15-26H,1,13-14,27-28H2.
What are the key properties of 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate?
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate has a molecular weight of 523.68 g/mol, XLogP of 8.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 59399913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).