4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline

C44H37NO2 — CID 166938463

IUPAC4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESCOc1cccc(/C=C/c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(/C=C/c3cccc(OC)c3)c2)c1
InChIInChI=1S/C44H37NO2/c1-46-43-17-9-11-35(32-43)20-23-38-29-37(30-39(31-38)24-21-36-12-10-18-44(33-36)47-2)22-19-34-25-27-42(28-26-34)45(40-13-5-3-6-14-40)41-15-7-4-8-16-41/h3-33H,1-2H3/b22-19+,23-20+,24-21+
InChIKeyCMPYQYQMIRQMGY-IKVQWSBMSA-N
MW611.79 g/mol
LogP11.68
Rot. Bonds11

About 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline

4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline (PubChem CID 166938463) has the molecular formula C44H37NO2 and a molecular weight of 611.79 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
PubChem CID166938463
Molecular FormulaC44H37NO2
Molecular Weight611.79 g/mol
Exact Mass611.28
IUPAC Name4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESCOc1cccc(/C=C/c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(/C=C/c3cccc(OC)c3)c2)c1
InChIInChI=1S/C44H37NO2/c1-46-43-17-9-11-35(32-43)20-23-38-29-37(30-39(31-38)24-21-36-12-10-18-44(33-36)47-2)22-19-34-25-27-42(28-26-34)45(40-13-5-3-6-14-40)41-15-7-4-8-16-41/h3-33H,1-2H3/b22-19+,23-20+,24-21+
InChIKeyCMPYQYQMIRQMGY-IKVQWSBMSA-N
XLogP11.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline with MolForge

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Related Compounds

3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
4-methyl-N-[4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenyl]-N-phenylaniline
CID 15180917
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
N-[4-[(Z)-2-[6-[(Z)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 59905387
4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888023
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline (CID 166938463) is 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline is COc1cccc(/C=C/c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(/C=C/c3cccc(OC)c3)c2)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The InChIKey is CMPYQYQMIRQMGY-IKVQWSBMSA-N. The full InChI is InChI=1S/C44H37NO2/c1-46-43-17-9-11-35(32-43)20-23-38-29-37(30-39(31-38)24-21-36-12-10-18-44(33-36)47-2)22-19-34-25-27-42(28-26-34)45(40-13-5-3-6-14-40)41-15-7-4-8-16-41/h3-33H,1-2H3/b22-19+,23-20+,24-21+.
What are the key properties of 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 611.79 g/mol, XLogP of 11.68, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 166938463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).