10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene

C20H14S — CID 70846389

IUPAC10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
SMILESc1ccc2c(c1)CCc1cc3c(cc1-2)sc1ccccc13
InChIInChI=1S/C20H14S/c1-2-6-15-13(5-1)9-10-14-11-18-16-7-3-4-8-19(16)21-20(18)12-17(14)15/h1-8,11-12H,9-10H2
InChIKeyRBJYMNQNZGGLGH-UHFFFAOYSA-N
MW286.40 g/mol
LogP5.82
Rot. Bonds

About 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene

10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene (PubChem CID 70846389) has the molecular formula C20H14S and a molecular weight of 286.40 g/mol. Its IUPAC name is 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene.

Molecular Properties

Compound Name10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
PubChem CID70846389
Molecular FormulaC20H14S
Molecular Weight286.40 g/mol
Exact Mass286.08
IUPAC Name10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
SMILESc1ccc2c(c1)CCc1cc3c(cc1-2)sc1ccccc13
InChIInChI=1S/C20H14S/c1-2-6-15-13(5-1)9-10-14-11-18-16-7-3-4-8-19(16)21-20(18)12-17(14)15/h1-8,11-12H,9-10H2
InChIKeyRBJYMNQNZGGLGH-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?
The IUPAC name of 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene (CID 70846389) is 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene.
What is the SMILES notation for 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?
The canonical SMILES for 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene is c1ccc2c(c1)CCc1cc3c(cc1-2)sc1ccccc13.
What is the InChIKey of 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?
The InChIKey is RBJYMNQNZGGLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14S/c1-2-6-15-13(5-1)9-10-14-11-18-16-7-3-4-8-19(16)21-20(18)12-17(14)15/h1-8,11-12H,9-10H2.
What are the key properties of 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?
10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene has a molecular weight of 286.40 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene is sourced from PubChem (CID 70846389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).