N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline

C30H29NO — CID 14766504

IUPACN-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(/C=C/c3cc(C)c(C)cc3C)cc2)cc1
InChIInChI=1S/C30H29NO/c1-22-20-24(3)26(21-23(22)2)13-10-25-11-14-28(15-12-25)31(27-8-6-5-7-9-27)29-16-18-30(32-4)19-17-29/h5-21H,1-4H3/b13-10+
InChIKeyWVMIMFSCHQHFIG-JLHYYAGUSA-N
MW419.57 g/mol
LogP8.26
Rot. Bonds6

About N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline

N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline (PubChem CID 14766504) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
PubChem CID14766504
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC NameN-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(/C=C/c3cc(C)c(C)cc3C)cc2)cc1
InChIInChI=1S/C30H29NO/c1-22-20-24(3)26(21-23(22)2)13-10-25-11-14-28(15-12-25)31(27-8-6-5-7-9-27)29-16-18-30(32-4)19-17-29/h5-21H,1-4H3/b13-10+
InChIKeyWVMIMFSCHQHFIG-JLHYYAGUSA-N
XLogP8.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline?
The IUPAC name of N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline (CID 14766504) is N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline?
The canonical SMILES for N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline is COc1ccc(N(c2ccccc2)c2ccc(/C=C/c3cc(C)c(C)cc3C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline?
The InChIKey is WVMIMFSCHQHFIG-JLHYYAGUSA-N. The full InChI is InChI=1S/C30H29NO/c1-22-20-24(3)26(21-23(22)2)13-10-25-11-14-28(15-12-25)31(27-8-6-5-7-9-27)29-16-18-30(32-4)19-17-29/h5-21H,1-4H3/b13-10+.
What are the key properties of N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline?
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline has a molecular weight of 419.57 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline is sourced from PubChem (CID 14766504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).