copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C56H40CuF24N8O8 — CID 12606480

IUPACcopper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILESFC(F)(F)COCc1cc2c(cc1COCC(F)(F)F)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc41)-c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc1-3)c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc21.[Cu+2]
InChIInChI=1S/C56H40F24N8O8.Cu/c57-49(58,59)17-89-9-25-1-33-34(2-26(25)10-90-18-50(60,61)62)42-81-41(33)85-43-35-3-27(11-91-19-51(63,64)65)28(12-92-20-52(66,67)68)4-36(35)45(82-43)87-47-39-7-31(15-95-23-55(75,76)77)32(16-96-24-56(78,79)80)8-40(39)48(84-47)88-46-38-6-30(14-94-22-54(72,73)74)29(13-93-21-53(69,70)71)5-37(38)44(83-46)86-42;/h1-8H,9-24H2;/q-2;+2
InChIKeyLQWDXPFAFBSXLZ-UHFFFAOYSA-N
MW1472.48 g/mol
LogP14.76
Rot. Bonds24

About copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 12606480) has the molecular formula C56H40CuF24N8O8 and a molecular weight of 1472.48 g/mol. Its IUPAC name is copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

Compound Namecopper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
PubChem CID12606480
Molecular FormulaC56H40CuF24N8O8
Molecular Weight1472.48 g/mol
Exact Mass1471.19
IUPAC Namecopper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILESFC(F)(F)COCc1cc2c(cc1COCC(F)(F)F)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc41)-c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc1-3)c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc21.[Cu+2]
InChIInChI=1S/C56H40F24N8O8.Cu/c57-49(58,59)17-89-9-25-1-33-34(2-26(25)10-90-18-50(60,61)62)42-81-41(33)85-43-35-3-27(11-91-19-51(63,64)65)28(12-92-20-52(66,67)68)4-36(35)45(82-43)87-47-39-7-31(15-95-23-55(75,76)77)32(16-96-24-56(78,79)80)8-40(39)48(84-47)88-46-38-6-30(14-94-22-54(72,73)74)29(13-93-21-53(69,70)71)5-37(38)44(83-46)86-42;/h1-8H,9-24H2;/q-2;+2
InChIKeyLQWDXPFAFBSXLZ-UHFFFAOYSA-N
XLogP14.76
TPSA179.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001472.48
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The IUPAC name of copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 12606480) is copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.
What is the SMILES notation for copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The canonical SMILES for copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is FC(F)(F)COCc1cc2c(cc1COCC(F)(F)F)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc41)-c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc1-3)c1cc(COCC(F)(F)F)c(COCC(F)(F)F)cc21.[Cu+2].
What is the InChIKey of copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The InChIKey is LQWDXPFAFBSXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40F24N8O8.Cu/c57-49(58,59)17-89-9-25-1-33-34(2-26(25)10-90-18-50(60,61)62)42-81-41(33)85-43-35-3-27(11-91-19-51(63,64)65)28(12-92-20-52(66,67)68)4-36(35)45(82-43)87-47-39-7-31(15-95-23-55(75,76)77)32(16-96-24-56(78,79)80)8-40(39)48(84-47)88-46-38-6-30(14-94-22-54(72,73)74)29(13-93-21-53(69,70)71)5-37(38)44(83-46)86-42;/h1-8H,9-24H2;/q-2;+2.
What are the key properties of copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 1472.48 g/mol, XLogP of 14.76, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for copper 6,7,15,16,24,25,33,34-octakis(2,2,2-trifluoroethoxymethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 12606480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).