4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline

C41H49N — CID 72543298

IUPAC4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
SMILESCCCCCCc1ccc(C=Cc2ccc(N(C)c3ccc(C=Cc4ccc(CCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H49N/c1-4-6-8-10-12-34-14-18-36(19-15-34)22-24-38-26-30-40(31-27-38)42(3)41-32-28-39(29-33-41)25-23-37-20-16-35(17-21-37)13-11-9-7-5-2/h14-33H,4-13H2,1-3H3
InChIKeyWTVHGTRHGSHWQF-UHFFFAOYSA-N
MW555.85 g/mol
LogP12.04
Rot. Bonds16

About 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline

4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline (PubChem CID 72543298) has the molecular formula C41H49N and a molecular weight of 555.85 g/mol. Its IUPAC name is 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
PubChem CID72543298
Molecular FormulaC41H49N
Molecular Weight555.85 g/mol
Exact Mass555.39
IUPAC Name4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
SMILESCCCCCCc1ccc(C=Cc2ccc(N(C)c3ccc(C=Cc4ccc(CCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H49N/c1-4-6-8-10-12-34-14-18-36(19-15-34)22-24-38-26-30-40(31-27-38)42(3)41-32-28-39(29-33-41)25-23-37-20-16-35(17-21-37)13-11-9-7-5-2/h14-33H,4-13H2,1-3H3
InChIKeyWTVHGTRHGSHWQF-UHFFFAOYSA-N
XLogP12.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.85
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
4-heptyl-N,N-dimethylaniline
CID 20777180
1-undecyl-4-[2-[4-[(E)-2-[4-[2-(4-undecylphenyl)ethynyl]phenyl]ethenyl]phenyl]ethynyl]benzene
CID 59413222
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59518329
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
1-pentyl-4-[2-[4-[4-[2-(4-pentylphenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543307
1-decyl-4-hept-1-enylbenzene
CID 173045869

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline?
The IUPAC name of 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline (CID 72543298) is 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline.
What is the SMILES notation for 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline?
The canonical SMILES for 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline is CCCCCCc1ccc(C=Cc2ccc(N(C)c3ccc(C=Cc4ccc(CCCCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline?
The InChIKey is WTVHGTRHGSHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N/c1-4-6-8-10-12-34-14-18-36(19-15-34)22-24-38-26-30-40(31-27-38)42(3)41-32-28-39(29-33-41)25-23-37-20-16-35(17-21-37)13-11-9-7-5-2/h14-33H,4-13H2,1-3H3.
What are the key properties of 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline?
4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline has a molecular weight of 555.85 g/mol, XLogP of 12.04, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline is sourced from PubChem (CID 72543298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).