N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C42H37NO2 — CID 54214278

IUPACN-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1ccc(C(=Cc2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H37NO2/c1-30-5-19-37(20-6-30)43(38-21-7-31(2)8-22-38)39-23-13-34(14-24-39)33-11-9-32(10-12-33)29-42(35-15-25-40(44-3)26-16-35)36-17-27-41(45-4)28-18-36/h5-29H,1-4H3
InChIKeyPYAWEAKIMBNTJX-UHFFFAOYSA-N
MW587.76 g/mol
LogP11.05
Rot. Bonds9

About N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 54214278) has the molecular formula C42H37NO2 and a molecular weight of 587.76 g/mol. Its IUPAC name is N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID54214278
Molecular FormulaC42H37NO2
Molecular Weight587.76 g/mol
Exact Mass587.28
IUPAC NameN-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1ccc(C(=Cc2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H37NO2/c1-30-5-19-37(20-6-30)43(38-21-7-31(2)8-22-38)39-23-13-34(14-24-39)33-11-9-32(10-12-33)29-42(35-15-25-40(44-3)26-16-35)36-17-27-41(45-4)28-18-36/h5-29H,1-4H3
InChIKeyPYAWEAKIMBNTJX-UHFFFAOYSA-N
XLogP11.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.76
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
[4-[2-[4-[N-(4-methoxyphenyl)-4-(sulfanylmethyl)anilino]phenyl]-1-(4-methylphenyl)ethenyl]phenyl]methanethiol
CID 73461398
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
[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
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N,N-bis(4-methoxyphenyl)aniline
CID 87385829
[4-[(E)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582109
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
3-[4-[2-[4-(N-[4-(4-butoxyphenyl)phenyl]-4-methylanilino)phenyl]-1-[4-(3-hydroxypropoxy)phenyl]ethenyl]phenoxy]propan-1-ol
CID 59739359

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 54214278) is N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is COc1ccc(C(=Cc2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is PYAWEAKIMBNTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37NO2/c1-30-5-19-37(20-6-30)43(38-21-7-31(2)8-22-38)39-23-13-34(14-24-39)33-11-9-32(10-12-33)29-42(35-15-25-40(44-3)26-16-35)36-17-27-41(45-4)28-18-36/h5-29H,1-4H3.
What are the key properties of N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 587.76 g/mol, XLogP of 11.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 54214278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).