3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline

C42H38N2 — CID 59938925

IUPAC3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(C=Cc3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C42H38N2/c1-31-9-5-13-39(27-31)43(40-14-6-10-32(2)28-40)37-23-19-35(20-24-37)17-18-36-21-25-38(26-22-36)44(41-15-7-11-33(3)29-41)42-16-8-12-34(4)30-42/h5-30H,1-4H3
InChIKeyGTQXPMLXOURFCU-UHFFFAOYSA-N
MW570.78 g/mol
LogP12.03
Rot. Bonds8

About 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline

3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline (PubChem CID 59938925) has the molecular formula C42H38N2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
PubChem CID59938925
Molecular FormulaC42H38N2
Molecular Weight570.78 g/mol
Exact Mass570.30
IUPAC Name3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(C=Cc3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C42H38N2/c1-31-9-5-13-39(27-31)43(40-14-6-10-32(2)28-40)37-23-19-35(20-24-37)17-18-36-21-25-38(26-22-36)44(41-15-7-11-33(3)29-41)42-16-8-12-34(4)30-42/h5-30H,1-4H3
InChIKeyGTQXPMLXOURFCU-UHFFFAOYSA-N
XLogP12.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline
CID 73195825
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920425
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89067843
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
CID 138690611
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?
The IUPAC name of 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline (CID 59938925) is 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline.
What is the SMILES notation for 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?
The canonical SMILES for 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline is Cc1cccc(N(c2ccc(C=Cc3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?
The InChIKey is GTQXPMLXOURFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2/c1-31-9-5-13-39(27-31)43(40-14-6-10-32(2)28-40)37-23-19-35(20-24-37)17-18-36-21-25-38(26-22-36)44(41-15-7-11-33(3)29-41)42-16-8-12-34(4)30-42/h5-30H,1-4H3.
What are the key properties of 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline has a molecular weight of 570.78 g/mol, XLogP of 12.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline is sourced from PubChem (CID 59938925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).