pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene

C15H14 — CID 54058975

IUPACpentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene
SMILESC1=C2CC2C2CC3c4ccccc4C1C32
InChIInChI=1S/C15H14/c1-2-4-10-9(3-1)12-6-8-5-11(8)14-7-13(10)15(12)14/h1-4,6,11-15H,5,7H2
InChIKeyLYHDNGKNULZEDN-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.46
Rot. Bonds

About pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene

pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene (PubChem CID 54058975) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene.

Molecular Properties

Compound Namepentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene
PubChem CID54058975
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Namepentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene
SMILESC1=C2CC2C2CC3c4ccccc4C1C32
InChIInChI=1S/C15H14/c1-2-4-10-9(3-1)12-6-8-5-11(8)14-7-13(10)15(12)14/h1-4,6,11-15H,5,7H2
InChIKeyLYHDNGKNULZEDN-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene 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 pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene?
The IUPAC name of pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene (CID 54058975) is pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene.
What is the SMILES notation for pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene?
The canonical SMILES for pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene is C1=C2CC2C2CC3c4ccccc4C1C32.
What is the InChIKey of pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene?
The InChIKey is LYHDNGKNULZEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-2-4-10-9(3-1)12-6-8-5-11(8)14-7-13(10)15(12)14/h1-4,6,11-15H,5,7H2.
What are the key properties of pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene?
pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene has a molecular weight of 194.28 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.6.1.02,7.010,15.011,13]pentadeca-2,4,6,13-tetraene is sourced from PubChem (CID 54058975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).