N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline

C51H45N — CID 58177568

IUPACN,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(C)cc4C)cc3)cc2)c2ccc(C=Cc3ccc(-c4ccc(C)cc4C)cc3)cc2)cc1
InChIInChI=1S/C51H45N/c1-36-6-26-47(27-7-36)52(48-28-18-43(19-29-48)12-10-41-14-22-45(23-15-41)50-32-8-37(2)34-39(50)4)49-30-20-44(21-31-49)13-11-42-16-24-46(25-17-42)51-33-9-38(3)35-40(51)5/h6-35H,1-5H3
InChIKeyQBFOAHYDIVNJTF-UHFFFAOYSA-N
MW671.93 g/mol
LogP14.37
Rot. Bonds9

About N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline

N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline (PubChem CID 58177568) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline
PubChem CID58177568
Molecular FormulaC51H45N
Molecular Weight671.93 g/mol
Exact Mass671.36
IUPAC NameN,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(C)cc4C)cc3)cc2)c2ccc(C=Cc3ccc(-c4ccc(C)cc4C)cc3)cc2)cc1
InChIInChI=1S/C51H45N/c1-36-6-26-47(27-7-36)52(48-28-18-43(19-29-48)12-10-41-14-22-45(23-15-41)50-32-8-37(2)34-39(50)4)49-30-20-44(21-31-49)13-11-42-16-24-46(25-17-42)51-33-9-38(3)35-40(51)5/h6-35H,1-5H3
InChIKeyQBFOAHYDIVNJTF-UHFFFAOYSA-N
XLogP14.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.93
LogP ≤ 514.37
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

4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
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
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
4-methyl-N-[4-[(E)-2-[3-methyl-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 20734404
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
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
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
methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 158838824
4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 58635015
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline?
The IUPAC name of N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline (CID 58177568) is N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline?
The canonical SMILES for N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline is Cc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(C)cc4C)cc3)cc2)c2ccc(C=Cc3ccc(-c4ccc(C)cc4C)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline?
The InChIKey is QBFOAHYDIVNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-36-6-26-47(27-7-36)52(48-28-18-43(19-29-48)12-10-41-14-22-45(23-15-41)50-32-8-37(2)34-39(50)4)49-30-20-44(21-31-49)13-11-42-16-24-46(25-17-42)51-33-9-38(3)35-40(51)5/h6-35H,1-5H3.
What are the key properties of N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline?
N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline has a molecular weight of 671.93 g/mol, XLogP of 14.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 58177568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).