4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline

C35H29NO3 — CID 121321414

IUPAC4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline
SMILESC=COc1ccc(N(c2ccc(Oc3ccc(C)cc3)cc2)c2ccc(Oc3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C35H29NO3/c1-4-27-8-18-33(19-9-27)39-35-24-14-30(15-25-35)36(28-10-20-31(21-11-28)37-5-2)29-12-22-34(23-13-29)38-32-16-6-26(3)7-17-32/h4-25H,1-2H2,3H3
InChIKeyOYTCSWBODLOCLD-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.21
Rot. Bonds10

About 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline

4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline (PubChem CID 121321414) has the molecular formula C35H29NO3 and a molecular weight of 511.62 g/mol. Its IUPAC name is 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline.

Molecular Properties

Compound Name4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline
PubChem CID121321414
Molecular FormulaC35H29NO3
Molecular Weight511.62 g/mol
Exact Mass511.21
IUPAC Name4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline
SMILESC=COc1ccc(N(c2ccc(Oc3ccc(C)cc3)cc2)c2ccc(Oc3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C35H29NO3/c1-4-27-8-18-33(19-9-27)39-35-24-14-30(15-25-35)36(28-10-20-31(21-11-28)37-5-2)29-12-22-34(23-13-29)38-32-16-6-26(3)7-17-32/h4-25H,1-2H2,3H3
InChIKeyOYTCSWBODLOCLD-UHFFFAOYSA-N
XLogP10.21
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
1-(4-ethenylphenoxy)-3,5-dimethylbenzene
CID 141340670
N-(3,5-dimethylphenyl)-N-(4-ethenylphenyl)-3,5-dimethylaniline
CID 69460355
4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline
CID 59196876
N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
CID 69459469
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277268
1-N,1-N,3-N,6-N,6-N,8-N,8-N-heptakis(4-ethenylphenyl)-3-N-(4-methylphenyl)pyrene-1,3,6,8-tetramine
CID 171053082
CID 90291409
CID 90291409
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
N-[4-(2-ethenoxyethoxy)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58251088

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline?
The IUPAC name of 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline (CID 121321414) is 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline.
What is the SMILES notation for 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline?
The canonical SMILES for 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline is C=COc1ccc(N(c2ccc(Oc3ccc(C)cc3)cc2)c2ccc(Oc3ccc(C=C)cc3)cc2)cc1.
What is the InChIKey of 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline?
The InChIKey is OYTCSWBODLOCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29NO3/c1-4-27-8-18-33(19-9-27)39-35-24-14-30(15-25-35)36(28-10-20-31(21-11-28)37-5-2)29-12-22-34(23-13-29)38-32-16-6-26(3)7-17-32/h4-25H,1-2H2,3H3.
What are the key properties of 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline?
4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline has a molecular weight of 511.62 g/mol, XLogP of 10.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline is sourced from PubChem (CID 121321414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).