cyclotricosa-1,3,5,7,9-pentaene

C23H36 — CID 90742480

IUPACcyclotricosa-1,3,5,7,9-pentaene
SMILESC1=CC=CC=CCCCCCCCCCCCCCC=CC=C1
InChIInChI=1S/C23H36/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h1-10H,11-23H2
InChIKeyDWFDLGCCSWHPLT-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.85
Rot. Bonds

About cyclotricosa-1,3,5,7,9-pentaene

cyclotricosa-1,3,5,7,9-pentaene (PubChem CID 90742480) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is cyclotricosa-1,3,5,7,9-pentaene.

Molecular Properties

Compound Namecyclotricosa-1,3,5,7,9-pentaene
PubChem CID90742480
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Namecyclotricosa-1,3,5,7,9-pentaene
SMILESC1=CC=CC=CCCCCCCCCCCCCCC=CC=C1
InChIInChI=1S/C23H36/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h1-10H,11-23H2
InChIKeyDWFDLGCCSWHPLT-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclotricosa-1,3,5,7,9-pentaene 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 cyclotricosa-1,3,5,7,9-pentaene?
The IUPAC name of cyclotricosa-1,3,5,7,9-pentaene (CID 90742480) is cyclotricosa-1,3,5,7,9-pentaene.
What is the SMILES notation for cyclotricosa-1,3,5,7,9-pentaene?
The canonical SMILES for cyclotricosa-1,3,5,7,9-pentaene is C1=CC=CC=CCCCCCCCCCCCCCC=CC=C1.
What is the InChIKey of cyclotricosa-1,3,5,7,9-pentaene?
The InChIKey is DWFDLGCCSWHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h1-10H,11-23H2.
What are the key properties of cyclotricosa-1,3,5,7,9-pentaene?
cyclotricosa-1,3,5,7,9-pentaene has a molecular weight of 312.54 g/mol, XLogP of 7.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotricosa-1,3,5,7,9-pentaene is sourced from PubChem (CID 90742480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).