pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene

C18H14 — CID 145272567

IUPACpentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene
SMILESC1=Cc2cccc3c2CC(=C1)C12C=CC=CC31C2
InChIInChI=1S/C18H14/c1-2-10-18-12-17(18,9-1)14-7-3-5-13-6-4-8-16(18)15(13)11-14/h1-10H,11-12H2
InChIKeyOPROJWRBTBYBJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.95
Rot. Bonds

About pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene

pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene (PubChem CID 145272567) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene.

Molecular Properties

Compound Namepentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene
PubChem CID145272567
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Namepentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene
SMILESC1=Cc2cccc3c2CC(=C1)C12C=CC=CC31C2
InChIInChI=1S/C18H14/c1-2-10-18-12-17(18,9-1)14-7-3-5-13-6-4-8-16(18)15(13)11-14/h1-10H,11-12H2
InChIKeyOPROJWRBTBYBJO-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene with MolForge

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Related Compounds

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Dehydroabietane
CID 86869
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-, (4aS,10aS)-
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CID 102750
Temarotene
CID 6436116
(4aS,10aS)-1,2,3,4,4a,9,10,10a-Octahydro-4a-methyl-1-methylene-7-(1-methylethyl)phenanthrene
CID 44268166
18-Nor-4(19),8,11,13-abietatetraene
CID 5320205
(4aS,10aS)-8-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
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Nordehydroabietane
CID 220273

Frequently Asked Questions

What is the IUPAC name of pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene?
The IUPAC name of pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene (CID 145272567) is pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene.
What is the SMILES notation for pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene?
The canonical SMILES for pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene is C1=Cc2cccc3c2CC(=C1)C12C=CC=CC31C2.
What is the InChIKey of pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene?
The InChIKey is OPROJWRBTBYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-2-10-18-12-17(18,9-1)14-7-3-5-13-6-4-8-16(18)15(13)11-14/h1-10H,11-12H2.
What are the key properties of pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene?
pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene has a molecular weight of 230.31 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[7.6.2.110,15.05,16.010,15]octadeca-1,3,5(16),6,8,11,13-heptaene is sourced from PubChem (CID 145272567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).