10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione

C40H24N4O6 — CID 20671131

IUPAC10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
SMILESCOc1cc2nc3c4ccc5c6ccc7c(=O)n8c9cc(OC)c(OC)cc9nc8c8ccc(c9ccc(c(=O)n3c2cc1OC)c4c95)c6c78
InChIInChI=1S/C40H24N4O6/c1-47-29-13-25-27(15-31(29)49-3)43-37(41-25)21-9-5-17-20-8-12-24-36-22(10-6-18(34(20)36)19-7-11-23(39(43)45)35(21)33(17)19)38-42-26-14-30(48-2)32(50-4)16-28(26)44(38)40(24)46/h5-16H,1-4H3
InChIKeyAQLLMDWBANTKGR-UHFFFAOYSA-N
MW656.65 g/mol
LogP7.28
Rot. Bonds4

About 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione

10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione (PubChem CID 20671131) has the molecular formula C40H24N4O6 and a molecular weight of 656.65 g/mol. Its IUPAC name is 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione.

Molecular Properties

Compound Name10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
PubChem CID20671131
Molecular FormulaC40H24N4O6
Molecular Weight656.65 g/mol
Exact Mass656.17
IUPAC Name10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
SMILESCOc1cc2nc3c4ccc5c6ccc7c(=O)n8c9cc(OC)c(OC)cc9nc8c8ccc(c9ccc(c(=O)n3c2cc1OC)c4c95)c6c78
InChIInChI=1S/C40H24N4O6/c1-47-29-13-25-27(15-31(29)49-3)43-37(41-25)21-9-5-17-20-8-12-24-36-22(10-6-18(34(20)36)19-7-11-23(39(43)45)35(21)33(17)19)38-42-26-14-30(48-2)32(50-4)16-28(26)44(38)40(24)46/h5-16H,1-4H3
InChIKeyAQLLMDWBANTKGR-UHFFFAOYSA-N
XLogP7.28
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.65
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
The IUPAC name of 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione (CID 20671131) is 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione.
What is the SMILES notation for 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
The canonical SMILES for 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione is COc1cc2nc3c4ccc5c6ccc7c(=O)n8c9cc(OC)c(OC)cc9nc8c8ccc(c9ccc(c(=O)n3c2cc1OC)c4c95)c6c78.
What is the InChIKey of 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
The InChIKey is AQLLMDWBANTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O6/c1-47-29-13-25-27(15-31(29)49-3)43-37(41-25)21-9-5-17-20-8-12-24-36-22(10-6-18(34(20)36)19-7-11-23(39(43)45)35(21)33(17)19)38-42-26-14-30(48-2)32(50-4)16-28(26)44(38)40(24)46/h5-16H,1-4H3.
What are the key properties of 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione has a molecular weight of 656.65 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,28,29-tetramethoxy-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione is sourced from PubChem (CID 20671131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).