pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene

C18H10 — CID 57375439

IUPACpentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESC1=c2ccc3c4c(ccc(c24)=C1)=c1ccccc1=3
InChIInChI=1S/C18H10/c1-2-4-14-13(3-1)15-9-7-11-5-6-12-8-10-16(14)18(15)17(11)12/h1-10H
InChIKeyGILUNAKNHXUOQI-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.30
Rot. Bonds

About pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene

pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene (PubChem CID 57375439) has the molecular formula C18H10 and a molecular weight of 226.28 g/mol. Its IUPAC name is pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Namepentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene
PubChem CID57375439
Molecular FormulaC18H10
Molecular Weight226.28 g/mol
Exact Mass226.08
IUPAC Namepentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESC1=c2ccc3c4c(ccc(c24)=C1)=c1ccccc1=3
InChIInChI=1S/C18H10/c1-2-4-14-13(3-1)15-9-7-11-5-6-12-8-10-16(14)18(15)17(11)12/h1-10H
InChIKeyGILUNAKNHXUOQI-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene (CID 57375439) is pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene is C1=c2ccc3c4c(ccc(c24)=C1)=c1ccccc1=3.
What is the InChIKey of pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The InChIKey is GILUNAKNHXUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10/c1-2-4-14-13(3-1)15-9-7-11-5-6-12-8-10-16(14)18(15)17(11)12/h1-10H.
What are the key properties of pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene has a molecular weight of 226.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 57375439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).