4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline

C55H41N — CID 89105727

IUPAC4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline
SMILESC(=C/c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c2ccccc12)\c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C55H41N/c1-4-14-43(15-5-1)40-44-26-24-41(25-27-44)28-32-45-34-38-54(52-22-12-10-20-50(45)52)55-39-35-46(51-21-11-13-23-53(51)55)33-29-42-30-36-49(37-31-42)56(47-16-6-2-7-17-47)48-18-8-3-9-19-48/h1-39H,40H2/b32-28+,33-29+
InChIKeyJHWPRPMEFHQBDX-NUOLXNBNSA-N
MW715.94 g/mol
LogP15.06
Rot. Bonds10

About 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline

4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline (PubChem CID 89105727) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline
PubChem CID89105727
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC Name4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline
SMILESC(=C/c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c2ccccc12)\c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C55H41N/c1-4-14-43(15-5-1)40-44-26-24-41(25-27-44)28-32-45-34-38-54(52-22-12-10-20-50(45)52)55-39-35-46(51-21-11-13-23-53(51)55)33-29-42-30-36-49(37-31-42)56(47-16-6-2-7-17-47)48-18-8-3-9-19-48/h1-39H,40H2/b32-28+,33-29+
InChIKeyJHWPRPMEFHQBDX-NUOLXNBNSA-N
XLogP15.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-amine
CID 59412951
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
CID 76639574
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-[(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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
N-phenyl-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]-4-(2-phenylethyl)aniline
CID 59987784
2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]terephthalaldehyde
CID 44557741

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline (CID 89105727) is 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline is C(=C/c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c2ccccc12)\c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline?
The InChIKey is JHWPRPMEFHQBDX-NUOLXNBNSA-N. The full InChI is InChI=1S/C55H41N/c1-4-14-43(15-5-1)40-44-26-24-41(25-27-44)28-32-45-34-38-54(52-22-12-10-20-50(45)52)55-39-35-46(51-21-11-13-23-53(51)55)33-29-42-30-36-49(37-31-42)56(47-16-6-2-7-17-47)48-18-8-3-9-19-48/h1-39H,40H2/b32-28+,33-29+.
What are the key properties of 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline?
4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline has a molecular weight of 715.94 g/mol, XLogP of 15.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 89105727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).