4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline

C48H45NO6 — CID 134974449

IUPAC4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline
SMILESCOc1cccc(C=Cc2ccc(N(c3ccc(C=Cc4cccc(OC)c4OC)cc3)c3ccc(C=Cc4cccc(OC)c4OC)cc3)cc2)c1OC
InChIInChI=1S/C48H45NO6/c1-50-43-13-7-10-37(46(43)53-4)25-16-34-19-28-40(29-20-34)49(41-30-21-35(22-31-41)17-26-38-11-8-14-44(51-2)47(38)54-5)42-32-23-36(24-33-42)18-27-39-12-9-15-45(52-3)48(39)55-6/h7-33H,1-6H3
InChIKeyASRGZMNXLZEHOT-UHFFFAOYSA-N
MW731.89 g/mol
LogP11.72
Rot. Bonds15

About 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline

4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline (PubChem CID 134974449) has the molecular formula C48H45NO6 and a molecular weight of 731.89 g/mol. Its IUPAC name is 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline
PubChem CID134974449
Molecular FormulaC48H45NO6
Molecular Weight731.89 g/mol
Exact Mass731.32
IUPAC Name4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline
SMILESCOc1cccc(C=Cc2ccc(N(c3ccc(C=Cc4cccc(OC)c4OC)cc3)c3ccc(C=Cc4cccc(OC)c4OC)cc3)cc2)c1OC
InChIInChI=1S/C48H45NO6/c1-50-43-13-7-10-37(46(43)53-4)25-16-34-19-28-40(29-20-34)49(41-30-21-35(22-31-41)17-26-38-11-8-14-44(51-2)47(38)54-5)42-32-23-36(24-33-42)18-27-39-12-9-15-45(52-3)48(39)55-6/h7-33H,1-6H3
InChIKeyASRGZMNXLZEHOT-UHFFFAOYSA-N
XLogP11.72
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.89
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
CID 77387181
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
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
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
3-(2,3-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456447
2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 154951531

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline (CID 134974449) is 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline is COc1cccc(C=Cc2ccc(N(c3ccc(C=Cc4cccc(OC)c4OC)cc3)c3ccc(C=Cc4cccc(OC)c4OC)cc3)cc2)c1OC.
What is the InChIKey of 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline?
The InChIKey is ASRGZMNXLZEHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45NO6/c1-50-43-13-7-10-37(46(43)53-4)25-16-34-19-28-40(29-20-34)49(41-30-21-35(22-31-41)17-26-38-11-8-14-44(51-2)47(38)54-5)42-32-23-36(24-33-42)18-27-39-12-9-15-45(52-3)48(39)55-6/h7-33H,1-6H3.
What are the key properties of 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline?
4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline has a molecular weight of 731.89 g/mol, XLogP of 11.72, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 134974449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).