4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

C50H44N2O4 — CID 54000014

IUPAC4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C50H44N2O4/c1-53-47-29-21-43(22-30-47)51(44-23-31-48(54-2)32-24-44)41-17-13-39(14-18-41)11-9-37-5-7-38(8-6-37)10-12-40-15-19-42(20-16-40)52(45-25-33-49(55-3)34-26-45)46-27-35-50(56-4)36-28-46/h5-36H,1-4H3
InChIKeyKKWNEIFCIBJISP-UHFFFAOYSA-N
MW736.91 g/mol
LogP13.00
Rot. Bonds14

About 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 54000014) has the molecular formula C50H44N2O4 and a molecular weight of 736.91 g/mol. Its IUPAC name is 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID54000014
Molecular FormulaC50H44N2O4
Molecular Weight736.91 g/mol
Exact Mass736.33
IUPAC Name4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C50H44N2O4/c1-53-47-29-21-43(22-30-47)51(44-23-31-48(54-2)32-24-44)41-17-13-39(14-18-41)11-9-37-5-7-38(8-6-37)10-12-40-15-19-42(20-16-40)52(45-25-33-49(55-3)34-26-45)46-27-35-50(56-4)36-28-46/h5-36H,1-4H3
InChIKeyKKWNEIFCIBJISP-UHFFFAOYSA-N
XLogP13.00
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.91
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (CID 54000014) is 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is KKWNEIFCIBJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2O4/c1-53-47-29-21-43(22-30-47)51(44-23-31-48(54-2)32-24-44)41-17-13-39(14-18-41)11-9-37-5-7-38(8-6-37)10-12-40-15-19-42(20-16-40)52(45-25-33-49(55-3)34-26-45)46-27-35-50(56-4)36-28-46/h5-36H,1-4H3.
What are the key properties of 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 736.91 g/mol, XLogP of 13.00, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 54000014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).