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

C49H41N — CID 59805421

IUPAC4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
SMILESCc1ccc(-c2ccc(C=Cc3ccc(N(c4ccc(C)cc4)c4ccc(C=Cc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H41N/c1-36-4-22-43(23-5-36)45-26-14-39(15-27-45)10-12-41-18-32-48(33-19-41)50(47-30-8-38(3)9-31-47)49-34-20-42(21-35-49)13-11-40-16-28-46(29-17-40)44-24-6-37(2)7-25-44/h4-35H,1-3H3
InChIKeyLDTYYUHWGGIFBL-UHFFFAOYSA-N
MW643.87 g/mol
LogP13.76
Rot. Bonds9

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

4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline (PubChem CID 59805421) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
PubChem CID59805421
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC Name4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
SMILESCc1ccc(-c2ccc(C=Cc3ccc(N(c4ccc(C)cc4)c4ccc(C=Cc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H41N/c1-36-4-22-43(23-5-36)45-26-14-39(15-27-45)10-12-41-18-32-48(33-19-41)50(47-30-8-38(3)9-31-47)49-34-20-42(21-35-49)13-11-40-16-28-46(29-17-40)44-24-6-37(2)7-25-44/h4-35H,1-3H3
InChIKeyLDTYYUHWGGIFBL-UHFFFAOYSA-N
XLogP13.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 513.76
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

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-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
4-(4-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]anilino)benzenethiol
CID 143060501
4-methyl-N-[4-[2-[4-[4-[2-[4-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethynyl]phenyl]phenyl]ethynyl]-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethynyl]phenyl]phenyl]ethynyl]phenyl]anilino]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59498693
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 76600737
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]phenyl]aniline
CID 89314584
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline?
The IUPAC name of 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline (CID 59805421) is 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline is Cc1ccc(-c2ccc(C=Cc3ccc(N(c4ccc(C)cc4)c4ccc(C=Cc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline?
The InChIKey is LDTYYUHWGGIFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-36-4-22-43(23-5-36)45-26-14-39(15-27-45)10-12-41-18-32-48(33-19-41)50(47-30-8-38(3)9-31-47)49-34-20-42(21-35-49)13-11-40-16-28-46(29-17-40)44-24-6-37(2)7-25-44/h4-35H,1-3H3.
What are the key properties of 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline?
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline has a molecular weight of 643.87 g/mol, XLogP of 13.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 59805421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).