3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene

C30H16N2O2Te2 — CID 172539440

IUPAC3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene
SMILESc1ccc2c(c1)oc1c3[te]c4ccccc4n4c5ccccc5oc(c5[te]c6ccccc6n2c15)c34
InChIInChI=1S/C30H16N2O2Te2/c1-5-13-21-17(9-1)31-19-11-3-7-15-23(19)35-29-25(31)27(33-21)30-26-28(29)34-22-14-6-2-10-18(22)32(26)20-12-4-8-16-24(20)36-30/h1-16H
InChIKeyXPMBUKGSYCFZHK-UHFFFAOYSA-N
MW691.67 g/mol
LogP7.54
Rot. Bonds

About 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene

3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene (PubChem CID 172539440) has the molecular formula C30H16N2O2Te2 and a molecular weight of 691.67 g/mol. Its IUPAC name is 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene.

Molecular Properties

Compound Name3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene
PubChem CID172539440
Molecular FormulaC30H16N2O2Te2
Molecular Weight691.67 g/mol
Exact Mass695.93
IUPAC Name3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene
SMILESc1ccc2c(c1)oc1c3[te]c4ccccc4n4c5ccccc5oc(c5[te]c6ccccc6n2c15)c34
InChIInChI=1S/C30H16N2O2Te2/c1-5-13-21-17(9-1)31-19-11-3-7-15-23(19)35-29-25(31)27(33-21)30-26-28(29)34-22-14-6-2-10-18(22)32(26)20-12-4-8-16-24(20)36-30/h1-16H
InChIKeyXPMBUKGSYCFZHK-UHFFFAOYSA-N
XLogP7.54
TPSA35.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.67
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene?
The IUPAC name of 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene (CID 172539440) is 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene.
What is the SMILES notation for 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene?
The canonical SMILES for 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene is c1ccc2c(c1)oc1c3[te]c4ccccc4n4c5ccccc5oc(c5[te]c6ccccc6n2c15)c34.
What is the InChIKey of 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene?
The InChIKey is XPMBUKGSYCFZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N2O2Te2/c1-5-13-21-17(9-1)31-19-11-3-7-15-23(19)35-29-25(31)27(33-21)30-26-28(29)34-22-14-6-2-10-18(22)32(26)20-12-4-8-16-24(20)36-30/h1-16H.
What are the key properties of 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene?
3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene has a molecular weight of 691.67 g/mol, XLogP of 7.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene is sourced from PubChem (CID 172539440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).