2-ethenylhexahelicene

C28H18 — CID 71739612

IUPAC2-ethenylhexahelicene
SMILESC=Cc1ccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2c1
InChIInChI=1S/C28H18/c1-2-18-7-8-20-10-12-22-14-16-23-15-13-21-11-9-19-5-3-4-6-24(19)26(21)28(23)27(22)25(20)17-18/h2-17H,1H2
InChIKeyGIPYHMFJMGWQPN-UHFFFAOYSA-N
MW354.45 g/mol
LogP8.10
Rot. Bonds1

About 2-ethenylhexahelicene

2-ethenylhexahelicene (PubChem CID 71739612) has the molecular formula C28H18 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-ethenylhexahelicene.

Molecular Properties

Compound Name2-ethenylhexahelicene
PubChem CID71739612
Molecular FormulaC28H18
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name2-ethenylhexahelicene
SMILESC=Cc1ccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2c1
InChIInChI=1S/C28H18/c1-2-18-7-8-20-10-12-22-14-16-23-15-13-21-11-9-19-5-3-4-6-24(19)26(21)28(23)27(22)25(20)17-18/h2-17H,1H2
InChIKeyGIPYHMFJMGWQPN-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-ethenylhexahelicene 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 2-ethenylhexahelicene?
The IUPAC name of 2-ethenylhexahelicene (CID 71739612) is 2-ethenylhexahelicene.
What is the SMILES notation for 2-ethenylhexahelicene?
The canonical SMILES for 2-ethenylhexahelicene is C=Cc1ccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2c1.
What is the InChIKey of 2-ethenylhexahelicene?
The InChIKey is GIPYHMFJMGWQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18/c1-2-18-7-8-20-10-12-22-14-16-23-15-13-21-11-9-19-5-3-4-6-24(19)26(21)28(23)27(22)25(20)17-18/h2-17H,1H2.
What are the key properties of 2-ethenylhexahelicene?
2-ethenylhexahelicene has a molecular weight of 354.45 g/mol, XLogP of 8.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylhexahelicene is sourced from PubChem (CID 71739612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).