4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C66H52N2O2 — CID 163442886

IUPAC4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOc1ccc(/C(=C/c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(/C=C(\c6ccccc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C66H52N2O2/c1-69-63-43-31-55(32-44-63)65(53-15-7-3-8-16-53)47-49-23-35-59(36-24-49)67(57-19-11-5-12-20-57)61-39-27-51(28-40-61)52-29-41-62(42-30-52)68(58-21-13-6-14-22-58)60-37-25-50(26-38-60)48-66(54-17-9-4-10-18-54)56-33-45-64(70-2)46-34-56/h3-48H,1-2H3/b65-47+,66-48+
InChIKeyBAAQTGPLXNDUSU-YWSPFSFESA-N
MW905.15 g/mol
LogP17.49
Rot. Bonds15

About 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 163442886) has the molecular formula C66H52N2O2 and a molecular weight of 905.15 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID163442886
Molecular FormulaC66H52N2O2
Molecular Weight905.15 g/mol
Exact Mass904.40
IUPAC Name4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOc1ccc(/C(=C/c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(/C=C(\c6ccccc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C66H52N2O2/c1-69-63-43-31-55(32-44-63)65(53-15-7-3-8-16-53)47-49-23-35-59(36-24-49)67(57-19-11-5-12-20-57)61-39-27-51(28-40-61)52-29-41-62(42-30-52)68(58-21-13-6-14-22-58)60-37-25-50(26-38-60)48-66(54-17-9-4-10-18-54)56-33-45-64(70-2)46-34-56/h3-48H,1-2H3/b65-47+,66-48+
InChIKeyBAAQTGPLXNDUSU-YWSPFSFESA-N
XLogP17.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.15
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline
CID 90960262
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 163442886) is 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is COc1ccc(/C(=C/c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(/C=C(\c6ccccc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is BAAQTGPLXNDUSU-YWSPFSFESA-N. The full InChI is InChI=1S/C66H52N2O2/c1-69-63-43-31-55(32-44-63)65(53-15-7-3-8-16-53)47-49-23-35-59(36-24-49)67(57-19-11-5-12-20-57)61-39-27-51(28-40-61)52-29-41-62(42-30-52)68(58-21-13-6-14-22-58)60-37-25-50(26-38-60)48-66(54-17-9-4-10-18-54)56-33-45-64(70-2)46-34-56/h3-48H,1-2H3/b65-47+,66-48+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 905.15 g/mol, XLogP of 17.49, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 163442886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).