pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene

C19H14 — CID 158653199

IUPACpentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
SMILESc1ccc2c(c1)CC1=C2CC2=C1c1ccccc1C2
InChIInChI=1S/C19H14/c1-3-7-15-13(6-1)10-18-17(15)11-14-9-12-5-2-4-8-16(12)19(14)18/h1-8H,9-11H2
InChIKeyOHMNOVQGCQSQIO-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.41
Rot. Bonds

About pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene

pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene (PubChem CID 158653199) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene.

Molecular Properties

Compound Namepentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
PubChem CID158653199
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Namepentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
SMILESc1ccc2c(c1)CC1=C2CC2=C1c1ccccc1C2
InChIInChI=1S/C19H14/c1-3-7-15-13(6-1)10-18-17(15)11-14-9-12-5-2-4-8-16(12)19(14)18/h1-8H,9-11H2
InChIKeyOHMNOVQGCQSQIO-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
The IUPAC name of pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene (CID 158653199) is pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene.
What is the SMILES notation for pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
The canonical SMILES for pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene is c1ccc2c(c1)CC1=C2CC2=C1c1ccccc1C2.
What is the InChIKey of pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
The InChIKey is OHMNOVQGCQSQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-3-7-15-13(6-1)10-18-17(15)11-14-9-12-5-2-4-8-16(12)19(14)18/h1-8H,9-11H2.
What are the key properties of pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene has a molecular weight of 242.32 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene is sourced from PubChem (CID 158653199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).