pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene

C18H10 — CID 163289904

IUPACpentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
SMILESc1cc2ccc3ccc4ccc5cc4c3c2c5c1
InChIInChI=1S/C18H10/c1-2-12-7-8-13-6-4-11-5-9-14-10-16(11)18(13)17(12)15(14)3-1/h1-10H
InChIKeyRADPOLUHQKTCDH-UHFFFAOYSA-N
MW226.28 g/mol
LogP5.18
Rot. Bonds

About pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene

pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene (PubChem CID 163289904) has the molecular formula C18H10 and a molecular weight of 226.28 g/mol. Its IUPAC name is pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene.

Molecular Properties

Compound Namepentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
PubChem CID163289904
Molecular FormulaC18H10
Molecular Weight226.28 g/mol
Exact Mass226.08
IUPAC Namepentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
SMILESc1cc2ccc3ccc4ccc5cc4c3c2c5c1
InChIInChI=1S/C18H10/c1-2-12-7-8-13-6-4-11-5-9-14-10-16(11)18(13)17(12)15(14)3-1/h1-10H
InChIKeyRADPOLUHQKTCDH-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.28
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene?
The IUPAC name of pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene (CID 163289904) is pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene.
What is the SMILES notation for pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene?
The canonical SMILES for pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene is c1cc2ccc3ccc4ccc5cc4c3c2c5c1.
What is the InChIKey of pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene?
The InChIKey is RADPOLUHQKTCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10/c1-2-12-7-8-13-6-4-11-5-9-14-10-16(11)18(13)17(12)15(14)3-1/h1-10H.
What are the key properties of pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene?
pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene has a molecular weight of 226.28 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene is sourced from PubChem (CID 163289904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).