8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene

C28H16S2Te2 — CID 140869089

IUPAC8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene
SMILESCc1cc2cc3cc4c(cc3cc2s1)[te]c1c2cc3cc5cc(C)sc5cc3cc2[te]c41
InChIInChI=1S/C28H16S2Te2/c1-13-3-19-5-15-7-21-25(11-17(15)9-23(19)29-13)31-28-22-8-16-6-20-4-14(2)30-24(20)10-18(16)12-26(22)32-27(21)28/h3-12H,1-2H3
InChIKeyGIUURCNIWBKIAS-UHFFFAOYSA-N
MW671.77 g/mol
LogP8.61
Rot. Bonds

About 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene

8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene (PubChem CID 140869089) has the molecular formula C28H16S2Te2 and a molecular weight of 671.77 g/mol. Its IUPAC name is 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene.

Molecular Properties

Compound Name8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene
PubChem CID140869089
Molecular FormulaC28H16S2Te2
Molecular Weight671.77 g/mol
Exact Mass675.88
IUPAC Name8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene
SMILESCc1cc2cc3cc4c(cc3cc2s1)[te]c1c2cc3cc5cc(C)sc5cc3cc2[te]c41
InChIInChI=1S/C28H16S2Te2/c1-13-3-19-5-15-7-21-25(11-17(15)9-23(19)29-13)31-28-22-8-16-6-20-4-14(2)30-24(20)10-18(16)12-26(22)32-27(21)28/h3-12H,1-2H3
InChIKeyGIUURCNIWBKIAS-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.77
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene?
The IUPAC name of 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene (CID 140869089) is 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene.
What is the SMILES notation for 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene?
The canonical SMILES for 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene is Cc1cc2cc3cc4c(cc3cc2s1)[te]c1c2cc3cc5cc(C)sc5cc3cc2[te]c41.
What is the InChIKey of 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene?
The InChIKey is GIUURCNIWBKIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16S2Te2/c1-13-3-19-5-15-7-21-25(11-17(15)9-23(19)29-13)31-28-22-8-16-6-20-4-14(2)30-24(20)10-18(16)12-26(22)32-27(21)28/h3-12H,1-2H3.
What are the key properties of 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene?
8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene has a molecular weight of 671.77 g/mol, XLogP of 8.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene is sourced from PubChem (CID 140869089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).