1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene

C36H36 — CID 71422497

IUPAC1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene
SMILESCc1cc(C)cc(C=Cc2cc(C=Cc3cc(C)cc(C)c3)cc(C=Cc3cc(C)cc(C)c3)c2)c1
InChIInChI=1S/C36H36/c1-25-13-26(2)17-31(16-25)7-10-34-22-35(11-8-32-18-27(3)14-28(4)19-32)24-36(23-34)12-9-33-20-29(5)15-30(6)21-33/h7-24H,1-6H3
InChIKeyRDYLZKVSUKAHHM-UHFFFAOYSA-N
MW468.68 g/mol
LogP10.05
Rot. Bonds6

About 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene

1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene (PubChem CID 71422497) has the molecular formula C36H36 and a molecular weight of 468.68 g/mol. Its IUPAC name is 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene
PubChem CID71422497
Molecular FormulaC36H36
Molecular Weight468.68 g/mol
Exact Mass468.28
IUPAC Name1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene
SMILESCc1cc(C)cc(C=Cc2cc(C=Cc3cc(C)cc(C)c3)cc(C=Cc3cc(C)cc(C)c3)c2)c1
InChIInChI=1S/C36H36/c1-25-13-26(2)17-31(16-25)7-10-34-22-35(11-8-32-18-27(3)14-28(4)19-32)24-36(23-34)12-9-33-20-29(5)15-30(6)21-33/h7-24H,1-6H3
InChIKeyRDYLZKVSUKAHHM-UHFFFAOYSA-N
XLogP10.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene?
The IUPAC name of 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene (CID 71422497) is 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene is Cc1cc(C)cc(C=Cc2cc(C=Cc3cc(C)cc(C)c3)cc(C=Cc3cc(C)cc(C)c3)c2)c1.
What is the InChIKey of 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene?
The InChIKey is RDYLZKVSUKAHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36/c1-25-13-26(2)17-31(16-25)7-10-34-22-35(11-8-32-18-27(3)14-28(4)19-32)24-36(23-34)12-9-33-20-29(5)15-30(6)21-33/h7-24H,1-6H3.
What are the key properties of 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene?
1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene has a molecular weight of 468.68 g/mol, XLogP of 10.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene is sourced from PubChem (CID 71422497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).