4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline

C42H44N2 — CID 20749560

IUPAC4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C(C)(C)C)c3)cc2)cc1
InChIInChI=1S/C42H44N2/c1-42(2,3)39-29-37(35-20-12-31(13-21-35)8-10-33-16-24-40(25-17-33)43(4)5)28-38(30-39)36-22-14-32(15-23-36)9-11-34-18-26-41(27-19-34)44(6)7/h8-30H,1-7H3/b10-8+,11-9+
InChIKeyMAMFSCCSBYOSOK-GFULKKFKSA-N
MW576.83 g/mol
LogP10.79
Rot. Bonds8

About 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 20749560) has the molecular formula C42H44N2 and a molecular weight of 576.83 g/mol. Its IUPAC name is 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID20749560
Molecular FormulaC42H44N2
Molecular Weight576.83 g/mol
Exact Mass576.35
IUPAC Name4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C(C)(C)C)c3)cc2)cc1
InChIInChI=1S/C42H44N2/c1-42(2,3)39-29-37(35-20-12-31(13-21-35)8-10-33-16-24-40(25-17-33)43(4)5)28-38(30-39)36-22-14-32(15-23-36)9-11-34-18-26-41(27-19-34)44(6)7/h8-30H,1-7H3/b10-8+,11-9+
InChIKeyMAMFSCCSBYOSOK-GFULKKFKSA-N
XLogP10.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.83
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
CID 15868831

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline (CID 20749560) is 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C(C)(C)C)c3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is MAMFSCCSBYOSOK-GFULKKFKSA-N. The full InChI is InChI=1S/C42H44N2/c1-42(2,3)39-29-37(35-20-12-31(13-21-35)8-10-33-16-24-40(25-17-33)43(4)5)28-38(30-39)36-22-14-32(15-23-36)9-11-34-18-26-41(27-19-34)44(6)7/h8-30H,1-7H3/b10-8+,11-9+.
What are the key properties of 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 576.83 g/mol, XLogP of 10.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[3-tert-butyl-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 20749560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).