6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene

C18H10S2 — CID 15306149

IUPAC6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
SMILESc1cc2cc3cc4cc5sccc5cc4cc3cc2s1
InChIInChI=1S/C18H10S2/c1-3-19-17-9-15-8-14-6-12-2-4-20-18(12)10-16(14)7-13(15)5-11(1)17/h1-10H
InChIKeyDAMUWSYTQPWFIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP6.42
Rot. Bonds

About 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene

6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene (PubChem CID 15306149) has the molecular formula C18H10S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene.

Molecular Properties

Compound Name6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
PubChem CID15306149
Molecular FormulaC18H10S2
Molecular Weight290.41 g/mol
Exact Mass290.02
IUPAC Name6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
SMILESc1cc2cc3cc4cc5sccc5cc4cc3cc2s1
InChIInChI=1S/C18H10S2/c1-3-19-17-9-15-8-14-6-12-2-4-20-18(12)10-16(14)7-13(15)5-11(1)17/h1-10H
InChIKeyDAMUWSYTQPWFIY-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The IUPAC name of 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene (CID 15306149) is 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene.
What is the SMILES notation for 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The canonical SMILES for 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene is c1cc2cc3cc4cc5sccc5cc4cc3cc2s1.
What is the InChIKey of 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The InChIKey is DAMUWSYTQPWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10S2/c1-3-19-17-9-15-8-14-6-12-2-4-20-18(12)10-16(14)7-13(15)5-11(1)17/h1-10H.
What are the key properties of 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene has a molecular weight of 290.41 g/mol, XLogP of 6.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene is sourced from PubChem (CID 15306149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).