1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene

C25H28 — CID 70536886

IUPAC1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
SMILESC=CCc1cccc(Cc2cccc(CC=C)c2CC=C)c1CC=C
InChIInChI=1S/C25H28/c1-5-11-20-15-9-17-22(24(20)13-7-3)19-23-18-10-16-21(12-6-2)25(23)14-8-4/h5-10,15-18H,1-4,11-14,19H2
InChIKeyNELNBMMZRMJGJL-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.19
Rot. Bonds10

About 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene

1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene (PubChem CID 70536886) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Name1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
PubChem CID70536886
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
SMILESC=CCc1cccc(Cc2cccc(CC=C)c2CC=C)c1CC=C
InChIInChI=1S/C25H28/c1-5-11-20-15-9-17-22(24(20)13-7-3)19-23-18-10-16-21(12-6-2)25(23)14-8-4/h5-10,15-18H,1-4,11-14,19H2
InChIKeyNELNBMMZRMJGJL-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene 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

azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene
CID 130386839
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
CID 66971419
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
3-prop-2-enyl-2-propylphenol
CID 139705767
2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
CID 70357054
2,6-bis(prop-2-enyl)benzonitrile
CID 67300787
2-bromo-1,4-bis(ethenyl)-3-prop-2-enylbenzene
CID 162512288
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
5-prop-2-enylnaphthalen-1-ol
CID 139534699

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene?
The IUPAC name of 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene (CID 70536886) is 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene.
What is the SMILES notation for 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene?
The canonical SMILES for 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene is C=CCc1cccc(Cc2cccc(CC=C)c2CC=C)c1CC=C.
What is the InChIKey of 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene?
The InChIKey is NELNBMMZRMJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-5-11-20-15-9-17-22(24(20)13-7-3)19-23-18-10-16-21(12-6-2)25(23)14-8-4/h5-10,15-18H,1-4,11-14,19H2.
What are the key properties of 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene?
1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene has a molecular weight of 328.50 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene is sourced from PubChem (CID 70536886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).