23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione

C46H30Cl2N4O6 — CID 144642775

About 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione

23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione (PubChem CID 144642775) has the molecular formula C46H30Cl2N4O6 and a molecular weight of 805.67 g/mol. Its IUPAC name is 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione.

Molecular Properties

• Compound Name: 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione
• PubChem CID: 144642775
• Molecular Formula: C46H30Cl2N4O6
• Molecular Weight: 805.67 g/mol
• Exact Mass: 804.15
• IUPAC Name: 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione
• SMILES: Cc1cc2c3c(cc(Cl)c4c5c(Cl)cc6c7c(cc(C)c(c1c43)c57)c(=O)n1c3cc4c(cc3nc61)OCC(C)CO4)c(=O)n1c3cc4c(cc3nc21)OCC(C)CO4
• InChI: InChI=1S/C46H30Cl2N4O6/c1-17-13-55-31-9-27-29(11-33(31)57-15-17)51-43(49-27)21-5-19(3)35-36-20(4)6-23-38-22(7-25(47)39(42(36)38)40-26(48)8-24(46(51)54)37(21)41(35)40)44-50-28-10-32-34(58-16-18(2)14-56-32)12-30(28)52(44)45(23)53/h5-12,17-18H,13-16H2,1-4H3
• InChIKey: IPIPJQFWPQMRIN-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 105.66 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.67
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione?

The IUPAC name of 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione (CID 144642775) is 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione.

What is the SMILES notation for 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione?

The canonical SMILES for 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione is Cc1cc2c3c(cc(Cl)c4c5c(Cl)cc6c7c(cc(C)c(c1c43)c57)c(=O)n1c3cc4c(cc3nc61)OCC(C)CO4)c(=O)n1c3cc4c(cc3nc21)OCC(C)CO4.

What is the InChIKey of 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione?

The InChIKey is IPIPJQFWPQMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30Cl2N4O6/c1-17-13-55-31-9-27-29(11-33(31)57-15-17)51-43(49-27)21-5-19(3)35-36-20(4)6-23-38-22(7-25(47)39(42(36)38)40-26(48)8-24(46(51)54)37(21)41(35)40)44-50-28-10-32-34(58-16-18(2)14-56-32)12-30(28)52(44)45(23)53/h5-12,17-18H,13-16H2,1-4H3.

What are the key properties of 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione?

23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione has a molecular weight of 805.67 g/mol, XLogP of 9.98, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 23,26-dichloro-13,36,46,50-tetramethyl-11,15,34,38-tetraoxa-7,19,30,42-tetrazatridecacyclo[26.18.2.22,5.03,24.04,21.06,19.08,18.010,16.025,47.029,42.031,41.033,39.044,48]pentaconta-1(47),2,4,6,8,10(16),17,21,23,25,27,29,31,33(39),40,44(48),45,49-octadecaene-20,43-dione is sourced from PubChem (CID 144642775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).