4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline

C49H47NO7 — CID 77387181

IUPAC4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
SMILESCOc1cc(C=Cc2ccc(N(c3ccc(C=Cc4cc(OC)cc(OC)c4)cc3)c3ccc(C=Cc4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1
InChIInChI=1S/C49H47NO7/c1-51-43-26-37(27-44(32-43)52-2)11-8-34-14-20-40(21-15-34)50(41-22-16-35(17-23-41)9-12-38-28-45(53-3)33-46(29-38)54-4)42-24-18-36(19-25-42)10-13-39-30-47(55-5)49(57-7)48(31-39)56-6/h8-33H,1-7H3
InChIKeyQTHXKAMAKJOCSA-UHFFFAOYSA-N
MW761.91 g/mol
LogP11.73
Rot. Bonds16

About 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline

4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline (PubChem CID 77387181) has the molecular formula C49H47NO7 and a molecular weight of 761.91 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
PubChem CID77387181
Molecular FormulaC49H47NO7
Molecular Weight761.91 g/mol
Exact Mass761.34
IUPAC Name4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
SMILESCOc1cc(C=Cc2ccc(N(c3ccc(C=Cc4cc(OC)cc(OC)c4)cc3)c3ccc(C=Cc4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1
InChIInChI=1S/C49H47NO7/c1-51-43-26-37(27-44(32-43)52-2)11-8-34-14-20-40(21-15-34)50(41-22-16-35(17-23-41)9-12-38-28-45(53-3)33-46(29-38)54-4)42-24-18-36(19-25-42)10-13-39-30-47(55-5)49(57-7)48(31-39)56-6/h8-33H,1-7H3
InChIKeyQTHXKAMAKJOCSA-UHFFFAOYSA-N
XLogP11.73
TPSA67.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.91
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline with MolForge

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Related Compounds

N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one
CID 102457186
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
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-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 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) is 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline is COc1cc(C=Cc2ccc(N(c3ccc(C=Cc4cc(OC)cc(OC)c4)cc3)c3ccc(C=Cc4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1.
What is the InChIKey of 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline?
The InChIKey is QTHXKAMAKJOCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47NO7/c1-51-43-26-37(27-44(32-43)52-2)11-8-34-14-20-40(21-15-34)50(41-22-16-35(17-23-41)9-12-38-28-45(53-3)33-46(29-38)54-4)42-24-18-36(19-25-42)10-13-39-30-47(55-5)49(57-7)48(31-39)56-6/h8-33H,1-7H3.
What are the key properties of 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline?
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline has a molecular weight of 761.91 g/mol, XLogP of 11.73, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 77387181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).