N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline

C48H42N2 — CID 91323757

IUPACN-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C48H42N2/c1-35-29-36(2)32-47(31-35)50(48-33-37(3)30-38(4)34-48)46-27-23-42(24-28-46)41-21-17-39(18-22-41)15-16-40-19-25-45(26-20-40)49(43-11-7-5-8-12-43)44-13-9-6-10-14-44/h5-34H,1-4H3
InChIKeyDANQXAUYSSZXJI-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.70
Rot. Bonds9

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

N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline (PubChem CID 91323757) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
PubChem CID91323757
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC NameN-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C48H42N2/c1-35-29-36(2)32-47(31-35)50(48-33-37(3)30-38(4)34-48)46-27-23-42(24-28-46)41-21-17-39(18-22-41)15-16-40-19-25-45(26-20-40)49(43-11-7-5-8-12-43)44-13-9-6-10-14-44/h5-34H,1-4H3
InChIKeyDANQXAUYSSZXJI-UHFFFAOYSA-N
XLogP13.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.70
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-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
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-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline?
The IUPAC name of N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline (CID 91323757) is N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline?
The canonical SMILES for N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline is Cc1cc(C)cc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline?
The InChIKey is DANQXAUYSSZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-35-29-36(2)32-47(31-35)50(48-33-37(3)30-38(4)34-48)46-27-23-42(24-28-46)41-21-17-39(18-22-41)15-16-40-19-25-45(26-20-40)49(43-11-7-5-8-12-43)44-13-9-6-10-14-44/h5-34H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline?
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline has a molecular weight of 646.88 g/mol, XLogP of 13.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 91323757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).