3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline

C34H29NO2S — CID 20603543

IUPAC3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESCOc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2OC)ccc1/C=C/c1cccs1
InChIInChI=1S/C34H29NO2S/c1-36-33-24-26(16-18-28(33)20-22-32-14-9-23-38-32)15-17-27-19-21-31(25-34(27)37-2)35(29-10-5-3-6-11-29)30-12-7-4-8-13-30/h3-25H,1-2H3/b17-15+,22-20+
InChIKeyAKOVFCGEHWYQCX-ICGGPLBBSA-N
MW515.68 g/mol
LogP9.58
Rot. Bonds9

About 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline

3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline (PubChem CID 20603543) has the molecular formula C34H29NO2S and a molecular weight of 515.68 g/mol. Its IUPAC name is 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline
PubChem CID20603543
Molecular FormulaC34H29NO2S
Molecular Weight515.68 g/mol
Exact Mass515.19
IUPAC Name3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESCOc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2OC)ccc1/C=C/c1cccs1
InChIInChI=1S/C34H29NO2S/c1-36-33-24-26(16-18-28(33)20-22-32-14-9-23-38-32)15-17-27-19-21-31(25-34(27)37-2)35(29-10-5-3-6-11-29)30-12-7-4-8-13-30/h3-25H,1-2H3/b17-15+,22-20+
InChIKeyAKOVFCGEHWYQCX-ICGGPLBBSA-N
XLogP9.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline
CID 20603581
N,N-dibutyl-3-methoxy-4-(4-thiophen-2-ylbuta-1,3-dienyl)aniline
CID 86667578
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 67494789
4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline
CID 20603561
2-methoxy-6-methyl-4-(2-thiophen-2-ylethenyl)phenol
CID 54060041
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline (CID 20603543) is 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline is COc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2OC)ccc1/C=C/c1cccs1.
What is the InChIKey of 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The InChIKey is AKOVFCGEHWYQCX-ICGGPLBBSA-N. The full InChI is InChI=1S/C34H29NO2S/c1-36-33-24-26(16-18-28(33)20-22-32-14-9-23-38-32)15-17-27-19-21-31(25-34(27)37-2)35(29-10-5-3-6-11-29)30-12-7-4-8-13-30/h3-25H,1-2H3/b17-15+,22-20+.
What are the key properties of 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 515.68 g/mol, XLogP of 9.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 20603543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).