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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Related Compounds

4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
N-[4-[(Z)-2-[6-[(Z)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 59905387
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 59933553
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 118245572
4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888023
2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 11297254

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).