18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene

C32H24S — CID 134848386

IUPAC18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene
SMILESc1ccc2c(c1)CCc1ccccc1-c1c-2sc2c1-c1ccccc1CCc1ccccc1-2
InChIInChI=1S/C32H24S/c1-5-13-25-21(9-1)17-19-23-11-3-7-15-27(23)31-29(25)30-26-14-6-2-10-22(26)18-20-24-12-4-8-16-28(24)32(30)33-31/h1-16H,17-20H2
InChIKeySIQLVDOGSLTPLV-UHFFFAOYSA-N
MW440.61 g/mol
LogP8.61
Rot. Bonds

About 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene

18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene (PubChem CID 134848386) has the molecular formula C32H24S and a molecular weight of 440.61 g/mol. Its IUPAC name is 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene.

Molecular Properties

Compound Name18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene
PubChem CID134848386
Molecular FormulaC32H24S
Molecular Weight440.61 g/mol
Exact Mass440.16
IUPAC Name18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene
SMILESc1ccc2c(c1)CCc1ccccc1-c1c-2sc2c1-c1ccccc1CCc1ccccc1-2
InChIInChI=1S/C32H24S/c1-5-13-25-21(9-1)17-19-23-11-3-7-15-27(23)31-29(25)30-26-14-6-2-10-22(26)18-20-24-12-4-8-16-28(24)32(30)33-31/h1-16H,17-20H2
InChIKeySIQLVDOGSLTPLV-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene?
The IUPAC name of 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene (CID 134848386) is 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene.
What is the SMILES notation for 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene?
The canonical SMILES for 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene is c1ccc2c(c1)CCc1ccccc1-c1c-2sc2c1-c1ccccc1CCc1ccccc1-2.
What is the InChIKey of 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene?
The InChIKey is SIQLVDOGSLTPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24S/c1-5-13-25-21(9-1)17-19-23-11-3-7-15-27(23)31-29(25)30-26-14-6-2-10-22(26)18-20-24-12-4-8-16-28(24)32(30)33-31/h1-16H,17-20H2.
What are the key properties of 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene?
18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene has a molecular weight of 440.61 g/mol, XLogP of 8.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene is sourced from PubChem (CID 134848386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).