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

C63H55N3 — CID 118136756

IUPAC3-[(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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3cccc(N(c4ccc(C)cc4)c4cccc(/C=C/c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C63H55N3/c1-46-12-30-55(31-13-46)64(56-32-14-47(2)15-33-56)60-40-26-51(27-41-60)22-24-53-8-6-10-62(44-53)66(59-38-20-50(5)21-39-59)63-11-7-9-54(45-63)25-23-52-28-42-61(43-29-52)65(57-34-16-48(3)17-35-57)58-36-18-49(4)19-37-58/h6-45H,1-5H3/b24-22+,25-23+
InChIKeyWHUQMAMRWHGYTN-BQASJOSNSA-N
MW854.15 g/mol
LogP17.98
Rot. Bonds13

About 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

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 (PubChem CID 118136756) has the molecular formula C63H55N3 and a molecular weight of 854.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID118136756
Molecular FormulaC63H55N3
Molecular Weight854.15 g/mol
Exact Mass853.44
IUPAC Name3-[(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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3cccc(N(c4ccc(C)cc4)c4cccc(/C=C/c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C63H55N3/c1-46-12-30-55(31-13-46)64(56-32-14-47(2)15-33-56)60-40-26-51(27-41-60)22-24-53-8-6-10-62(44-53)66(59-38-20-50(5)21-39-59)63-11-7-9-54(45-63)25-23-52-28-42-61(43-29-52)65(57-34-16-48(3)17-35-57)58-36-18-49(4)19-37-58/h6-45H,1-5H3/b24-22+,25-23+
InChIKeyWHUQMAMRWHGYTN-BQASJOSNSA-N
XLogP17.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.15
LogP ≤ 517.98
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

3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-methyl-N-[4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenyl]-N-phenylaniline
CID 15180917
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,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3cccc(N(c4ccc(C)cc4)c4cccc(/C=C/c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is WHUQMAMRWHGYTN-BQASJOSNSA-N. The full InChI is InChI=1S/C63H55N3/c1-46-12-30-55(31-13-46)64(56-32-14-47(2)15-33-56)60-40-26-51(27-41-60)22-24-53-8-6-10-62(44-53)66(59-38-20-50(5)21-39-59)63-11-7-9-54(45-63)25-23-52-28-42-61(43-29-52)65(57-34-16-48(3)17-35-57)58-36-18-49(4)19-37-58/h6-45H,1-5H3/b24-22+,25-23+.
What are the key properties of 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?
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 has a molecular weight of 854.15 g/mol, XLogP of 17.98, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118136756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).