5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene

C81H48OTe5 — CID 159334876

IUPAC5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene
SMILESCc1ccc2[te]c3cccc4c3c(c2c1)c1cccc2[te]c3ccc(C)cc3c4c21.Cc1ccc2oc3cccc4c3c(c2c1)c1cccc2[te]c3ccccc3c4c21.c1ccc2c(c1)[te]c1cccc3c1c2c1cccc2[te]c4ccccc4c3c21
InChIInChI=1S/C28H18Te2.C27H16OTe.C26H14Te2/c1-15-9-11-21-19(13-15)25-17-5-3-8-24-28(17)26(18-6-4-7-23(29-21)27(18)25)20-14-16(2)10-12-22(20)30-24;1-15-12-13-20-19(14-15)25-18-8-5-11-23-27(18)24(16-6-2-3-10-22(16)29-23)17-7-4-9-21(28-20)26(17)25;1-3-11-19-15(7-1)23-17-9-5-14-22-26(17)24(16-8-2-4-12-20(16)28-22)18-10-6-13-21(27-19)25(18)23/h3-14H,1-2H3;2-14H,1H3;1-14H
InChIKeyLFKDOFZANCQCNB-UHFFFAOYSA-N
MW1675.27 g/mol
LogP21.62
Rot. Bonds

About 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene

5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene (PubChem CID 159334876) has the molecular formula C81H48OTe5 and a molecular weight of 1675.27 g/mol. Its IUPAC name is 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene.

Molecular Properties

Compound Name5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene
PubChem CID159334876
Molecular FormulaC81H48OTe5
Molecular Weight1675.27 g/mol
Exact Mass1685.90
IUPAC Name5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene
SMILESCc1ccc2[te]c3cccc4c3c(c2c1)c1cccc2[te]c3ccc(C)cc3c4c21.Cc1ccc2oc3cccc4c3c(c2c1)c1cccc2[te]c3ccccc3c4c21.c1ccc2c(c1)[te]c1cccc3c1c2c1cccc2[te]c4ccccc4c3c21
InChIInChI=1S/C28H18Te2.C27H16OTe.C26H14Te2/c1-15-9-11-21-19(13-15)25-17-5-3-8-24-28(17)26(18-6-4-7-23(29-21)27(18)25)20-14-16(2)10-12-22(20)30-24;1-15-12-13-20-19(14-15)25-18-8-5-11-23-27(18)24(16-6-2-3-10-22(16)29-23)17-7-4-9-21(28-20)26(17)25;1-3-11-19-15(7-1)23-17-9-5-14-22-26(17)24(16-8-2-4-12-20(16)28-22)18-10-6-13-21(27-19)25(18)23/h3-14H,1-2H3;2-14H,1H3;1-14H
InChIKeyLFKDOFZANCQCNB-UHFFFAOYSA-N
XLogP21.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001675.27
LogP ≤ 521.62
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene?
The IUPAC name of 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene (CID 159334876) is 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene.
What is the SMILES notation for 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene?
The canonical SMILES for 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene is Cc1ccc2[te]c3cccc4c3c(c2c1)c1cccc2[te]c3ccc(C)cc3c4c21.Cc1ccc2oc3cccc4c3c(c2c1)c1cccc2[te]c3ccccc3c4c21.c1ccc2c(c1)[te]c1cccc3c1c2c1cccc2[te]c4ccccc4c3c21.
What is the InChIKey of 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene?
The InChIKey is LFKDOFZANCQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Te2.C27H16OTe.C26H14Te2/c1-15-9-11-21-19(13-15)25-17-5-3-8-24-28(17)26(18-6-4-7-23(29-21)27(18)25)20-14-16(2)10-12-22(20)30-24;1-15-12-13-20-19(14-15)25-18-8-5-11-23-27(18)24(16-6-2-3-10-22(16)29-23)17-7-4-9-21(28-20)26(17)25;1-3-11-19-15(7-1)23-17-9-5-14-22-26(17)24(16-8-2-4-12-20(16)28-22)18-10-6-13-21(27-19)25(18)23/h3-14H,1-2H3;2-14H,1H3;1-14H.
What are the key properties of 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene?
5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene has a molecular weight of 1675.27 g/mol, XLogP of 21.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene is sourced from PubChem (CID 159334876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).