N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C52H48N2O2 — CID 14366518

IUPACN-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1cc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(OC)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C52H48N2O2/c1-37-7-23-45(24-8-37)53(46-25-9-38(2)10-26-46)49-31-17-41(18-32-49)15-21-43-35-52(56-6)44(36-51(43)55-5)22-16-42-19-33-50(34-20-42)54(47-27-11-39(3)12-28-47)48-29-13-40(4)14-30-48/h7-36H,1-6H3/b21-15+,22-16+
InChIKeyYEZLUJSRDHZRAK-YHARCJFQSA-N
MW732.97 g/mol
LogP14.22
Rot. Bonds12

About N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 14366518) has the molecular formula C52H48N2O2 and a molecular weight of 732.97 g/mol. Its IUPAC name is N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID14366518
Molecular FormulaC52H48N2O2
Molecular Weight732.97 g/mol
Exact Mass732.37
IUPAC NameN-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1cc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(OC)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C52H48N2O2/c1-37-7-23-45(24-8-37)53(46-25-9-38(2)10-26-46)49-31-17-41(18-32-49)15-21-43-35-52(56-6)44(36-51(43)55-5)22-16-42-19-33-50(34-20-42)54(47-27-11-39(3)12-28-47)48-29-13-40(4)14-30-48/h7-36H,1-6H3/b21-15+,22-16+
InChIKeyYEZLUJSRDHZRAK-YHARCJFQSA-N
XLogP14.22
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 14366518) is N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is COc1cc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(OC)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is YEZLUJSRDHZRAK-YHARCJFQSA-N. The full InChI is InChI=1S/C52H48N2O2/c1-37-7-23-45(24-8-37)53(46-25-9-38(2)10-26-46)49-31-17-41(18-32-49)15-21-43-35-52(56-6)44(36-51(43)55-5)22-16-42-19-33-50(34-20-42)54(47-27-11-39(3)12-28-47)48-29-13-40(4)14-30-48/h7-36H,1-6H3/b21-15+,22-16+.
What are the key properties of N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 732.97 g/mol, XLogP of 14.22, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 14366518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).