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

C72H68N2O2 — CID 89419391

IUPACN-[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
SMILESC=Cc1ccc(COCCc2ccc(N(c3ccc(/C=C/c4cccc(/C=C/c5ccc(N(c6ccc(CCOCc7ccc(C=C)cc7)cc6)c6ccc(C)c(C)c6)cc5)c4)cc3)c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C72H68N2O2/c1-7-57-14-22-65(23-15-57)51-75-46-44-61-30-40-69(41-31-61)73(71-34-12-53(3)55(5)48-71)67-36-26-59(27-37-67)18-20-63-10-9-11-64(50-63)21-19-60-28-38-68(39-29-60)74(72-35-13-54(4)56(6)49-72)70-42-32-62(33-43-70)45-47-76-52-66-24-16-58(8-2)17-25-66/h7-43,48-50H,1-2,44-47,51-52H2,3-6H3/b20-18+,21-19+
InChIKeyVDUGYFOPPPEWGV-FRCMOREXSA-N
MW993.35 g/mol
LogP19.01
Rot. Bonds22

About 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

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 (PubChem CID 89419391) has the molecular formula C72H68N2O2 and a molecular weight of 993.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID89419391
Molecular FormulaC72H68N2O2
Molecular Weight993.35 g/mol
Exact Mass992.53
IUPAC NameN-[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
SMILESC=Cc1ccc(COCCc2ccc(N(c3ccc(/C=C/c4cccc(/C=C/c5ccc(N(c6ccc(CCOCc7ccc(C=C)cc7)cc6)c6ccc(C)c(C)c6)cc5)c4)cc3)c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C72H68N2O2/c1-7-57-14-22-65(23-15-57)51-75-46-44-61-30-40-69(41-31-61)73(71-34-12-53(3)55(5)48-71)67-36-26-59(27-37-67)18-20-63-10-9-11-64(50-63)21-19-60-28-38-68(39-29-60)74(72-35-13-54(4)56(6)49-72)70-42-32-62(33-43-70)45-47-76-52-66-24-16-58(8-2)17-25-66/h7-43,48-50H,1-2,44-47,51-52H2,3-6H3/b20-18+,21-19+
InChIKeyVDUGYFOPPPEWGV-FRCMOREXSA-N
XLogP19.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.35
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
CID 89104346
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
(4-ethenylphenyl)methyl 3-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-[N-(3,4-dimethylphenyl)-4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]anilino]phenyl]ethyl]anilino]phenyl]propanoate
CID 89419347
N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline
CID 71277351
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
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 59933553
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-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline
CID 59899799
N-(4-ethenylphenyl)-4-methoxy-N-(4-methoxy-3-methylphenyl)-3-methylaniline
CID 69462200
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(COCCc2ccc(N(c3ccc(/C=C/c4cccc(/C=C/c5ccc(N(c6ccc(CCOCc7ccc(C=C)cc7)cc6)c6ccc(C)c(C)c6)cc5)c4)cc3)c3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is VDUGYFOPPPEWGV-FRCMOREXSA-N. The full InChI is InChI=1S/C72H68N2O2/c1-7-57-14-22-65(23-15-57)51-75-46-44-61-30-40-69(41-31-61)73(71-34-12-53(3)55(5)48-71)67-36-26-59(27-37-67)18-20-63-10-9-11-64(50-63)21-19-60-28-38-68(39-29-60)74(72-35-13-54(4)56(6)49-72)70-42-32-62(33-43-70)45-47-76-52-66-24-16-58(8-2)17-25-66/h7-43,48-50H,1-2,44-47,51-52H2,3-6H3/b20-18+,21-19+.
What are the key properties of 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?
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 has a molecular weight of 993.35 g/mol, XLogP of 19.01, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89419391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).