N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline

C54H46N2 — CID 90921715

IUPACN-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
SMILESCc1cc(C)cc(N(c2ccccc2)c2ccc(-c3ccc(C=Cc4ccc(-c5ccc(N(c6ccccc6)c6cc(C)cc(C)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C54H46N2/c1-39-33-40(2)36-53(35-39)55(49-11-7-5-8-12-49)51-29-25-47(26-30-51)45-21-17-43(18-22-45)15-16-44-19-23-46(24-20-44)48-27-31-52(32-28-48)56(50-13-9-6-10-14-50)54-37-41(3)34-42(4)38-54/h5-38H,1-4H3
InChIKeyWXOSSNMJLQIYEG-UHFFFAOYSA-N
MW722.98 g/mol
LogP15.36
Rot. Bonds10

About N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline

N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline (PubChem CID 90921715) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
PubChem CID90921715
Molecular FormulaC54H46N2
Molecular Weight722.98 g/mol
Exact Mass722.37
IUPAC NameN-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
SMILESCc1cc(C)cc(N(c2ccccc2)c2ccc(-c3ccc(C=Cc4ccc(-c5ccc(N(c6ccccc6)c6cc(C)cc(C)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C54H46N2/c1-39-33-40(2)36-53(35-39)55(49-11-7-5-8-12-49)51-29-25-47(26-30-51)45-21-17-43(18-22-45)15-16-44-19-23-46(24-20-44)48-27-31-52(32-28-48)56(50-13-9-6-10-14-50)54-37-41(3)34-42(4)38-54/h5-38H,1-4H3
InChIKeyWXOSSNMJLQIYEG-UHFFFAOYSA-N
XLogP15.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.98
LogP ≤ 515.36
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

N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757
3,5-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89067583
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
3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 54172091
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
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89067967
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-[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 N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline?
The IUPAC name of N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline (CID 90921715) is N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline is Cc1cc(C)cc(N(c2ccccc2)c2ccc(-c3ccc(C=Cc4ccc(-c5ccc(N(c6ccccc6)c6cc(C)cc(C)c6)cc5)cc4)cc3)cc2)c1.
What is the InChIKey of N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline?
The InChIKey is WXOSSNMJLQIYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-39-33-40(2)36-53(35-39)55(49-11-7-5-8-12-49)51-29-25-47(26-30-51)45-21-17-43(18-22-45)15-16-44-19-23-46(24-20-44)48-27-31-52(32-28-48)56(50-13-9-6-10-14-50)54-37-41(3)34-42(4)38-54/h5-38H,1-4H3.
What are the key properties of N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline?
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline has a molecular weight of 722.98 g/mol, XLogP of 15.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline is sourced from PubChem (CID 90921715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).