1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene

C28H40 — CID 6312640

IUPAC1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(/CC)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C28H40/c1-13-25(27-21(9)17(5)15(3)18(6)22(27)10)26(14-2)28-23(11)19(7)16(4)20(8)24(28)12/h13-14H2,1-12H3/b26-25+
InChIKeyIHZBGUCYIVVWRP-OCEACIFDSA-N
MW376.63 g/mol
LogP8.50
Rot. Bonds4

About 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene

1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene (PubChem CID 6312640) has the molecular formula C28H40 and a molecular weight of 376.63 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene
PubChem CID6312640
Molecular FormulaC28H40
Molecular Weight376.63 g/mol
Exact Mass376.31
IUPAC Name1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(/CC)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C28H40/c1-13-25(27-21(9)17(5)15(3)18(6)22(27)10)26(14-2)28-23(11)19(7)16(4)20(8)24(28)12/h13-14H2,1-12H3/b26-25+
InChIKeyIHZBGUCYIVVWRP-OCEACIFDSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene (CID 6312640) is 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene is CC/C(=C(/CC)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene?
The InChIKey is IHZBGUCYIVVWRP-OCEACIFDSA-N. The full InChI is InChI=1S/C28H40/c1-13-25(27-21(9)17(5)15(3)18(6)22(27)10)26(14-2)28-23(11)19(7)16(4)20(8)24(28)12/h13-14H2,1-12H3/b26-25+.
What are the key properties of 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene?
1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene has a molecular weight of 376.63 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene is sourced from PubChem (CID 6312640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).