4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene

C24H24S6 — CID 121337468

IUPAC4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene
SMILESC1SCc2c3c4c5c6c2CSCc2c1c(c(c(c2CSC6)CSC5)CSC4)CSC3
InChIInChI=1S/C24H24S6/c1-13-14-3-26-7-19-16(2-25-1)20-8-27-4-15(13)18-6-29-11-23(20)24-12-30-9-21(18)17(14)5-28-10-22(19)24/h1-12H2
InChIKeyGXFNYSOMPOHPCG-UHFFFAOYSA-N
MW504.86 g/mol
LogP7.85
Rot. Bonds

About 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene

4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene (PubChem CID 121337468) has the molecular formula C24H24S6 and a molecular weight of 504.86 g/mol. Its IUPAC name is 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene.

Molecular Properties

Compound Name4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene
PubChem CID121337468
Molecular FormulaC24H24S6
Molecular Weight504.86 g/mol
Exact Mass504.02
IUPAC Name4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene
SMILESC1SCc2c3c4c5c6c2CSCc2c1c(c(c(c2CSC6)CSC5)CSC4)CSC3
InChIInChI=1S/C24H24S6/c1-13-14-3-26-7-19-16(2-25-1)20-8-27-4-15(13)18-6-29-11-23(20)24-12-30-9-21(18)17(14)5-28-10-22(19)24/h1-12H2
InChIKeyGXFNYSOMPOHPCG-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.86
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene?
The IUPAC name of 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene (CID 121337468) is 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene.
What is the SMILES notation for 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene?
The canonical SMILES for 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene is C1SCc2c3c4c5c6c2CSCc2c1c(c(c(c2CSC6)CSC5)CSC4)CSC3.
What is the InChIKey of 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene?
The InChIKey is GXFNYSOMPOHPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24S6/c1-13-14-3-26-7-19-16(2-25-1)20-8-27-4-15(13)18-6-29-11-23(20)24-12-30-9-21(18)17(14)5-28-10-22(19)24/h1-12H2.
What are the key properties of 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene?
4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene has a molecular weight of 504.86 g/mol, XLogP of 7.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene is sourced from PubChem (CID 121337468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).