17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene

C24H16STe — CID 166512596

IUPAC17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
SMILESCc1cc2cc3cc4cc5[te]c(C6=CC=CC6)cc5cc4cc3cc2s1
InChIInChI=1S/C24H16STe/c1-14-6-20-9-16-8-19-12-24-21(13-23(26-24)15-4-2-3-5-15)10-17(19)7-18(16)11-22(20)25-14/h2-4,6-13H,5H2,1H3
InChIKeyXPYLYZINPVVGIK-UHFFFAOYSA-N
MW464.06 g/mol
LogP7.07
Rot. Bonds1

About 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene

17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene (PubChem CID 166512596) has the molecular formula C24H16STe and a molecular weight of 464.06 g/mol. Its IUPAC name is 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene.

Molecular Properties

Compound Name17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
PubChem CID166512596
Molecular FormulaC24H16STe
Molecular Weight464.06 g/mol
Exact Mass466.00
IUPAC Name17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
SMILESCc1cc2cc3cc4cc5[te]c(C6=CC=CC6)cc5cc4cc3cc2s1
InChIInChI=1S/C24H16STe/c1-14-6-20-9-16-8-19-12-24-21(13-23(26-24)15-4-2-3-5-15)10-17(19)7-18(16)11-22(20)25-14/h2-4,6-13H,5H2,1H3
InChIKeyXPYLYZINPVVGIK-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.06
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The IUPAC name of 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene (CID 166512596) is 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene.
What is the SMILES notation for 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The canonical SMILES for 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene is Cc1cc2cc3cc4cc5[te]c(C6=CC=CC6)cc5cc4cc3cc2s1.
What is the InChIKey of 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The InChIKey is XPYLYZINPVVGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16STe/c1-14-6-20-9-16-8-19-12-24-21(13-23(26-24)15-4-2-3-5-15)10-17(19)7-18(16)11-22(20)25-14/h2-4,6-13H,5H2,1H3.
What are the key properties of 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene has a molecular weight of 464.06 g/mol, XLogP of 7.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene is sourced from PubChem (CID 166512596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).