About 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 161183490) has the molecular formula C321H285ClF5N31O41
and a molecular weight of 5363.43 g/mol. Its IUPAC name is 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Frequently Asked Questions
What is the IUPAC name of 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 161183490) is 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one is CC1(C)CN(c2ccc3c(c2)Oc2cc(N4CC(C)(C)C4)ccc2C32OC(=O)c3ccccc32)C1.CC1(F)CN(c2ccc3c(c2)Oc2cc(N4CC(F)(F)C4)ccc2C32OC(=O)c3ccccc32)C1.CC1CN(c2ccc3c(c2)Oc2cc(N4CC(C)C4)ccc2C32OC(=O)c3ccccc32)C1.CC1CN(c2ccc3c(c2)Oc2cc(N4CC(C)C4)ccc2C32OC(=O)c3ccccc32)C1.CC1CN(c2ccc3c(c2)Oc2cc(N4CC(C)C4)ccc2C32OC(=O)c3ccccc32)C1.Cc1ccc2c(c1)C1(C(=[N+]=[N-])C2=O)c2ccc(N3CCC3)cc2Oc2cc(N3CCC3)ccc21.O=C1OC2(c3ccc(N4CC(F)C4)cc3Oc3cc(N4CC(F)C4)ccc32)c2ccccc21.O=C1OC2(c3ccc(N4CCC4)cc3Oc3cc(N4CCC4)ccc32)c2ccccc21.O=C=O.O=C=O.[C-]#[N+]C1CN(c2ccc3c(c2)Oc2cc(N4CC(C)C4)ccc2C32OC(=O)c3ccccc32)C1.[N-]=[N+]=C1C(=O)c2ccc(C(=O)NCCOCCOCCCCCCCl)cc2C12c1ccc(N3CCC3)cc1Oc1cc(N3CCC3)ccc12.[N-]=[N+]=C1C(=O)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2C12c1ccc(N3CCC3)cc1Oc1cc(N3CCC3)ccc12.
What is the InChIKey of 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is USTYQNLGJBDOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42ClN5O5.C32H25N5O6.C30H30N2O3.C28H24N4O2.C28H23N3O3.3C28H26N2O3.C27H21F3N2O3.C26H20F2N2O3.C26H22N2O3.2CO2/c39-13-3-1-2-4-19-47-21-22-48-20-14-41-37(46)26-7-10-29-32(23-26)38(36(42-40)35(29)45)30-11-8-27(43-15-5-16-43)24-33(30)49-34-25-28(9-12-31(34)38)44-17-6-18-44;33-34-30-29(40)21-6-3-18(31(41)43-37-27(38)9-10-28(37)39)15-24(21)32(30)22-7-4-19(35-11-1-12-35)16-25(22)42-26-17-20(5-8-23(26)32)36-13-2-14-36;1-28(2)15-31(16-28)19-9-11-23-25(13-19)34-26-14-20(32-17-29(3,4)18-32)10-12-24(26)30(23)22-8-6-5-7-21(22)27(33)35-30;1-17-4-7-20-23(14-17)28(27(30-29)26(20)33)21-8-5-18(31-10-2-11-31)15-24(21)34-25-16-19(6-9-22(25)28)32-12-3-13-32;1-17-13-30(14-17)19-7-9-23-25(11-19)33-26-12-20(31-15-18(16-31)29-2)8-10-24(26)28(23)22-6-4-3-5-21(22)27(32)34-28;3*1-17-13-29(14-17)19-7-9-23-25(11-19)32-26-12-20(30-15-18(2)16-30)8-10-24(26)28(23)22-6-4-3-5-21(22)27(31)33-28;1-25(28)12-31(13-25)16-6-8-20-22(10-16)34-23-11-17(32-14-26(29,30)15-32)7-9-21(23)27(20)19-5-3-2-4-18(19)24(33)35-27;27-15-11-29(12-15)17-5-7-21-23(9-17)32-24-10-18(30-13-16(28)14-30)6-8-22(24)26(21)20-4-2-1-3-19(20)25(31)33-26;29-25-19-5-1-2-6-20(19)26(31-25)21-9-7-17(27-11-3-12-27)15-23(21)30-24-16-18(8-10-22(24)26)28-13-4-14-28;2*2-1-3/h7-12,23-25H,1-6,13-22H2,(H,41,46);3-8,15-17H,1-2,9-14H2;5-14H,15-18H2,1-4H3;4-9,14-16H,2-3,10-13H2,1H3;3-12,17-18H,13-16H2,1H3;3*3-12,17-18H,13-16H2,1-2H3;2-11H,12-15H2,1H3;1-10,15-16H,11-14H2;1-2,5-10,15-16H,3-4,11-14H2;;.
What are the key properties of 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 5363.43 g/mol, XLogP of 53.94, 37 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;3',6'-bis(azetidin-1-yl)-2-diazo-5-methylspiro[indene-3,9'-xanthene]-1-one;3',6'-bis(azetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3,3-dimethylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-bis(3-fluoroazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;tris(3',6'-bis(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one);bis(carbon dioxide);3'-(3,3-difluoroazetidin-1-yl)-6'-(3-fluoro-3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one;(2,5-dioxopyrrolidin-1-yl) 3',6'-bis(azetidin-1-yl)-2-diazo-1-oxospiro[indene-3,9'-xanthene]-5-carboxylate;3'-(3-isocyanoazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 161183490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).