14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene

C26H12S8 — CID 58084171

IUPAC14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene
SMILESc1ccc2cc3c(cc2c1)SC1=C(SC(=C2SC4=C(S2)Sc2cc5ccccc5cc2S4)S1)S3
InChIInChI=1S/C26H12S8/c1-2-6-14-10-18-17(9-13(14)5-1)27-21-22(28-18)32-25(31-21)26-33-23-24(34-26)30-20-12-16-8-4-3-7-15(16)11-19(20)29-23/h1-12H
InChIKeyDGIIPQJNAVUMBX-UHFFFAOYSA-N
MW580.92 g/mol
LogP11.43
Rot. Bonds

About 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene

14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene (PubChem CID 58084171) has the molecular formula C26H12S8 and a molecular weight of 580.92 g/mol. Its IUPAC name is 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene.

Molecular Properties

Compound Name14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene
PubChem CID58084171
Molecular FormulaC26H12S8
Molecular Weight580.92 g/mol
Exact Mass579.87
IUPAC Name14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene
SMILESc1ccc2cc3c(cc2c1)SC1=C(SC(=C2SC4=C(S2)Sc2cc5ccccc5cc2S4)S1)S3
InChIInChI=1S/C26H12S8/c1-2-6-14-10-18-17(9-13(14)5-1)27-21-22(28-18)32-25(31-21)26-33-23-24(34-26)30-20-12-16-8-4-3-7-15(16)11-19(20)29-23/h1-12H
InChIKeyDGIIPQJNAVUMBX-UHFFFAOYSA-N
XLogP11.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.92
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene?
The IUPAC name of 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene (CID 58084171) is 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene.
What is the SMILES notation for 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene?
The canonical SMILES for 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene is c1ccc2cc3c(cc2c1)SC1=C(SC(=C2SC4=C(S2)Sc2cc5ccccc5cc2S4)S1)S3.
What is the InChIKey of 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene?
The InChIKey is DGIIPQJNAVUMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12S8/c1-2-6-14-10-18-17(9-13(14)5-1)27-21-22(28-18)32-25(31-21)26-33-23-24(34-26)30-20-12-16-8-4-3-7-15(16)11-19(20)29-23/h1-12H.
What are the key properties of 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene?
14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene has a molecular weight of 580.92 g/mol, XLogP of 11.43, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaen-14-ylidene)-11,13,15,17-tetrathiatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16)-hexaene is sourced from PubChem (CID 58084171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).