pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene

C19H14 — CID 101484180

IUPACpentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene
SMILESC1=CC2C3=C(Cc4ccccc43)C1c1ccccc12
InChIInChI=1S/C19H14/c1-2-6-13-12(5-1)11-18-16-9-10-17(19(13)18)15-8-4-3-7-14(15)16/h1-10,16-17H,11H2
InChIKeyLHJKVXWYQSKVCR-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.45
Rot. Bonds

About pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene

pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene (PubChem CID 101484180) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene.

Molecular Properties

Compound Namepentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene
PubChem CID101484180
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Namepentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene
SMILESC1=CC2C3=C(Cc4ccccc43)C1c1ccccc12
InChIInChI=1S/C19H14/c1-2-6-13-12(5-1)11-18-16-9-10-17(19(13)18)15-8-4-3-7-14(15)16/h1-10,16-17H,11H2
InChIKeyLHJKVXWYQSKVCR-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
The IUPAC name of pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene (CID 101484180) is pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene.
What is the SMILES notation for pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
The canonical SMILES for pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene is C1=CC2C3=C(Cc4ccccc43)C1c1ccccc12.
What is the InChIKey of pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
The InChIKey is LHJKVXWYQSKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-2-6-13-12(5-1)11-18-16-9-10-17(19(13)18)15-8-4-3-7-14(15)16/h1-10,16-17H,11H2.
What are the key properties of pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene has a molecular weight of 242.32 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-2(10),3,5,7,12,14,16,18-octaene is sourced from PubChem (CID 101484180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).