1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene

C36H26 — CID 11167038

IUPAC1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
SMILESC(=C/c1cc(-c2cc(/C=C/c3ccccc3)c3cccccc2-3)c2cccccc1-2)\c1ccccc1
InChIInChI=1S/C36H26/c1-5-13-27(14-6-1)21-23-29-25-35(33-19-11-3-9-17-31(29)33)36-26-30(24-22-28-15-7-2-8-16-28)32-18-10-4-12-20-34(32)36/h1-26H/b23-21+,24-22+
InChIKeyYQSQCAJSNKXHGE-MBALSZOMSA-N
MW458.60 g/mol
LogP9.90
Rot. Bonds5

About 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene

1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene (PubChem CID 11167038) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
PubChem CID11167038
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
SMILESC(=C/c1cc(-c2cc(/C=C/c3ccccc3)c3cccccc2-3)c2cccccc1-2)\c1ccccc1
InChIInChI=1S/C36H26/c1-5-13-27(14-6-1)21-23-29-25-35(33-19-11-3-9-17-31(29)33)36-26-30(24-22-28-15-7-2-8-16-28)32-18-10-4-12-20-34(32)36/h1-26H/b23-21+,24-22+
InChIKeyYQSQCAJSNKXHGE-MBALSZOMSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene 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-[3,5-bis[3-[(E)-2-(4-methylphenyl)ethenyl]azulen-1-yl]phenyl]-3-[(E)-2-(4-methylphenyl)ethenyl]azulene
CID 101271450
1-[2-[(E)-2-phenylethenyl]phenyl]anthracene
CID 22052929
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
3-(3-formylazulen-1-yl)azulene-1-carbaldehyde
CID 10591039
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-[3,5-bis[3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]azulen-1-yl]phenyl]-3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]azulene
CID 101271454
2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde
CID 88602472
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
CID 174914865

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene?
The IUPAC name of 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene (CID 11167038) is 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene is C(=C/c1cc(-c2cc(/C=C/c3ccccc3)c3cccccc2-3)c2cccccc1-2)\c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene?
The InChIKey is YQSQCAJSNKXHGE-MBALSZOMSA-N. The full InChI is InChI=1S/C36H26/c1-5-13-27(14-6-1)21-23-29-25-35(33-19-11-3-9-17-31(29)33)36-26-30(24-22-28-15-7-2-8-16-28)32-18-10-4-12-20-34(32)36/h1-26H/b23-21+,24-22+.
What are the key properties of 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene?
1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene has a molecular weight of 458.60 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene is sourced from PubChem (CID 11167038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).