4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline

C72H64N2O3 — CID 89417377

IUPAC4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESC=Cc1ccc(COCCc2ccc(N(c3ccc(COCc4ccc(N(c5ccc(CCOCc6ccc(C=C)cc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C72H64N2O3/c1-3-55-15-19-59(20-16-55)51-75-49-47-57-23-35-67(36-24-57)73(71-43-31-65(32-44-71)63-11-7-5-8-12-63)69-39-27-61(28-40-69)53-77-54-62-29-41-70(42-30-62)74(72-45-33-66(34-46-72)64-13-9-6-10-14-64)68-37-25-58(26-38-68)48-50-76-52-60-21-17-56(4-2)18-22-60/h3-46H,1-2,47-54H2
InChIKeyPJOOAGLLTWFCAQ-UHFFFAOYSA-N
MW1005.31 g/mol
LogP18.48
Rot. Bonds24

About 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline

4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 89417377) has the molecular formula C72H64N2O3 and a molecular weight of 1005.31 g/mol. Its IUPAC name is 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID89417377
Molecular FormulaC72H64N2O3
Molecular Weight1005.31 g/mol
Exact Mass1004.49
IUPAC Name4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESC=Cc1ccc(COCCc2ccc(N(c3ccc(COCc4ccc(N(c5ccc(CCOCc6ccc(C=C)cc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C72H64N2O3/c1-3-55-15-19-59(20-16-55)51-75-49-47-57-23-35-67(36-24-57)73(71-43-31-65(32-44-71)63-11-7-5-8-12-63)69-39-27-61(28-40-69)53-77-54-62-29-41-70(42-30-62)74(72-45-33-66(34-46-72)64-13-9-6-10-14-64)68-37-25-58(26-38-68)48-50-76-52-60-21-17-56(4-2)18-22-60/h3-46H,1-2,47-54H2
InChIKeyPJOOAGLLTWFCAQ-UHFFFAOYSA-N
XLogP18.48
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.31
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
CID 89419387
N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-3-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclohexen-1-yl]-N-phenylaniline
CID 139426844
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline
CID 139426917
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline
CID 59899799
N-[4-[(E)-2-[3-[(E)-2-[4-[N-(3,4-dimethylphenyl)-4-[2-[(4-ethenylphenyl)methoxy]ethyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]phenyl]-3,4-dimethylaniline
CID 89419391
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-N-[4-[2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-pyren-2-ylanilino]phenyl]ethyl]phenyl]pyren-2-amine
CID 89417382
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
CID 89104346

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline (CID 89417377) is 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline is C=Cc1ccc(COCCc2ccc(N(c3ccc(COCc4ccc(N(c5ccc(CCOCc6ccc(C=C)cc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is PJOOAGLLTWFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N2O3/c1-3-55-15-19-59(20-16-55)51-75-49-47-57-23-35-67(36-24-57)73(71-43-31-65(32-44-71)63-11-7-5-8-12-63)69-39-27-61(28-40-69)53-77-54-62-29-41-70(42-30-62)74(72-45-33-66(34-46-72)64-13-9-6-10-14-64)68-37-25-58(26-38-68)48-50-76-52-60-21-17-56(4-2)18-22-60/h3-46H,1-2,47-54H2.
What are the key properties of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline?
4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 1005.31 g/mol, XLogP of 18.48, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 89417377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).