4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine

C36H42N2 — CID 59500116

IUPAC4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine
SMILESCCCCCCc1ccc(/C=C/c2ccnc3c(/C=C/c4ccc(CCCCCC)cc4)ccnc23)cc1
InChIInChI=1S/C36H42N2/c1-3-5-7-9-11-29-13-17-31(18-14-29)21-23-33-25-27-38-36-34(26-28-37-35(33)36)24-22-32-19-15-30(16-20-32)12-10-8-6-4-2/h13-28H,3-12H2,1-2H3/b23-21+,24-22+
InChIKeyRADUCZGOLORMMD-MBALSZOMSA-N
MW502.75 g/mol
LogP10.22
Rot. Bonds14

About 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine

4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine (PubChem CID 59500116) has the molecular formula C36H42N2 and a molecular weight of 502.75 g/mol. Its IUPAC name is 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine.

Molecular Properties

Compound Name4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine
PubChem CID59500116
Molecular FormulaC36H42N2
Molecular Weight502.75 g/mol
Exact Mass502.33
IUPAC Name4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine
SMILESCCCCCCc1ccc(/C=C/c2ccnc3c(/C=C/c4ccc(CCCCCC)cc4)ccnc23)cc1
InChIInChI=1S/C36H42N2/c1-3-5-7-9-11-29-13-17-31(18-14-29)21-23-33-25-27-38-36-34(26-28-37-35(33)36)24-22-32-19-15-30(16-20-32)12-10-8-6-4-2/h13-28H,3-12H2,1-2H3/b23-21+,24-22+
InChIKeyRADUCZGOLORMMD-MBALSZOMSA-N
XLogP10.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.75
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
1-undecyl-4-[2-[4-[(E)-2-[4-[2-(4-undecylphenyl)ethynyl]phenyl]ethenyl]phenyl]ethynyl]benzene
CID 59413222
4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
CID 72543298
1-pentyl-4-[2-[4-[4-[2-(4-pentylphenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543307
1-decyl-4-hept-1-enylbenzene
CID 173045869
4-[2-(4-heptylphenyl)ethenyl]benzonitrile
CID 71383392
3-(4-hexylphenyl)prop-2-en-1-ol
CID 169454033
2-fluoro-4-octoxy-1-[2-(4-pentylphenyl)ethenyl]benzene
CID 123190962
3-(4-hexylphenyl)prop-2-enenitrile
CID 169484163
1-hexyl-4-[(1E,5E)-6-(4-propylphenyl)hexa-1,5-dien-3-ynyl]benzene
CID 19043973

Frequently Asked Questions

What is the IUPAC name of 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine?
The IUPAC name of 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine (CID 59500116) is 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine.
What is the SMILES notation for 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine?
The canonical SMILES for 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine is CCCCCCc1ccc(/C=C/c2ccnc3c(/C=C/c4ccc(CCCCCC)cc4)ccnc23)cc1.
What is the InChIKey of 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine?
The InChIKey is RADUCZGOLORMMD-MBALSZOMSA-N. The full InChI is InChI=1S/C36H42N2/c1-3-5-7-9-11-29-13-17-31(18-14-29)21-23-33-25-27-38-36-34(26-28-37-35(33)36)24-22-32-19-15-30(16-20-32)12-10-8-6-4-2/h13-28H,3-12H2,1-2H3/b23-21+,24-22+.
What are the key properties of 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine?
4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine has a molecular weight of 502.75 g/mol, XLogP of 10.22, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis[(E)-2-(4-hexylphenyl)ethenyl]-1,5-naphthyridine is sourced from PubChem (CID 59500116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).