9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide

C468H289F5N66O26Pd10Pt10 — CID 157179161

IUPAC9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide
SMILESCC(C)N(c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(N(C(C)C)C(C)C)ccn5)c4)ccc3c3ccccc32)c1)C(C)C.CC(C)Oc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(OC(C)C)ccn5)c4)ccc3c3ccccc32)c1.CN(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(N(C)C)ccn5)c4)ccc3c3ccccc32)c1.COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(CO)ccn5)c4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(F)(F)F)ccn5)c4)ccc3c3ccccc32)c1.Fc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(F)ccn5)c4)ccc3c3ccccc32)c1.Oc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(O)ccn5)c4)ccc3c3ccccc32)c1.[2H]c1cccnc1-n1c2[c-]c(Oc3[c-]c(-c4ncccn4)[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ncccc4[2H])c3)ccc2c2ccccc21.[2H]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc([2H])ccn5)c4)ccc3c3ccccc32)c1.[C-]#[N+]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C#N)ccn5)c4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C56H50N8O2.C50H36N6O4.C48H34N8O2.C46H25F3N6O2.C46H22N8O2.C46H28N6O4.C44H22F2N6O2.C44H24N6O4.2C44H24N6O2.10Pd.10Pt/c1-35(2)61(36(3)4)40-22-26-57-54(30-40)63-50-16-11-9-14-46(50)48-20-18-42(33-52(48)63)65-44-28-39(56-59-24-13-25-60-56)29-45(32-44)66-43-19-21-49-47-15-10-12-17-51(47)64(53(49)34-43)55-31-41(23-27-58-55)62(37(5)6)38(7)8;1-31(2)57-36-18-22-51-48(29-36)55-44-12-7-5-10-40(44)42-16-14-34(27-46(42)55)59-38-24-33(50-53-20-9-21-54-50)25-39(26-38)60-35-15-17-43-41-11-6-8-13-45(41)56(47(43)28-35)49-30-37(19-23-52-49)58-32(3)4;1-53(2)32-18-22-49-46(26-32)55-42-12-7-5-10-38(42)40-16-14-34(29-44(40)55)57-36-24-31(48-51-20-9-21-52-48)25-37(28-36)58-35-15-17-41-39-11-6-8-13-43(39)56(45(41)30-35)47-27-33(54(3)4)19-23-50-47;1-28-15-19-50-43(21-28)54-39-9-4-2-7-35(39)37-13-11-31(26-41(37)54)56-33-22-29(45-52-17-6-18-53-45)23-34(25-33)57-32-12-14-38-36-8-3-5-10-40(36)55(42(38)27-32)44-24-30(16-20-51-44)46(47,48)49;1-48-31-16-20-50-45(24-31)54-41-10-5-3-8-37(41)39-14-12-33(27-43(39)54)56-35-23-30(46-51-17-6-18-52-46)22-34(25-35)55-32-11-13-38-36-7-2-4-9-40(36)53(42(38)26-32)44-21-29(28-47)15-19-49-44;1-54-31-16-20-48-45(27-31)52-41-10-5-3-8-37(41)39-14-12-33(26-43(39)52)56-35-23-30(46-49-17-6-18-50-46)22-34(24-35)55-32-11-13-38-36-7-2-4-9-40(36)51(42(38)25-32)44-21-29(28-53)15-19-47-44;45-28-14-18-47-42(22-28)51-38-8-3-1-6-34(38)36-12-10-30(25-40(36)51)53-32-20-27(44-49-16-5-17-50-44)21-33(24-32)54-31-11-13-37-35-7-2-4-9-39(35)52(41(37)26-31)43-23-29(46)15-19-48-43;51-28-14-18-45-42(22-28)49-38-8-3-1-6-34(38)36-12-10-30(25-40(36)49)53-32-20-27(44-47-16-5-17-48-44)21-33(24-32)54-31-11-13-37-35-7-2-4-9-39(35)50(41(37)26-31)43-23-29(52)15-19-46-43;2*1-3-12-38-34(10-1)36-18-16-30(27-40(36)49(38)42-14-5-7-20-45-42)51-32-24-29(44-47-22-9-23-48-44)25-33(26-32)52-31-17-19-37-35-11-2-4-13-39(35)50(41(37)28-31)43-15-6-8-21-46-43;;;;;;;;;;;;;;;;;;;;/h9-27,30-32,35-38H,1-8H3;5-23,26,29-32H,1-4H3;5-23,26-28H,1-4H3;2-21,24-25H,1H3;2-21,24-25H;2-21,24,27,53H,28H2,1H3;1-19,22-24H;1-19,22-24H,(H,45,51)(H,46,52);2*1-23,26H;;;;;;;;;;;;;;;;;;;;/q10*-4;20*+2/i;;;;;;;;14D,15D;5D,6D;;;;;;;;;;;;;;;;;;;;
InChIKeyVQPOCVYKMYOFSZ-KKFFCEKISA-N
MW10366.89 g/mol
LogP104.97
Rot. Bonds84

About 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide

9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide (PubChem CID 157179161) has the molecular formula C468H289F5N66O26Pd10Pt10 and a molecular weight of 10366.89 g/mol. Its IUPAC name is 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide.

Molecular Properties

Compound Name9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide
PubChem CID157179161
Molecular FormulaC468H289F5N66O26Pd10Pt10
Molecular Weight10366.89 g/mol
Exact Mass10355.03
IUPAC Name9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide
SMILESCC(C)N(c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(N(C(C)C)C(C)C)ccn5)c4)ccc3c3ccccc32)c1)C(C)C.CC(C)Oc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(OC(C)C)ccn5)c4)ccc3c3ccccc32)c1.CN(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(N(C)C)ccn5)c4)ccc3c3ccccc32)c1.COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(CO)ccn5)c4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(F)(F)F)ccn5)c4)ccc3c3ccccc32)c1.Fc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(F)ccn5)c4)ccc3c3ccccc32)c1.Oc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(O)ccn5)c4)ccc3c3ccccc32)c1.[2H]c1cccnc1-n1c2[c-]c(Oc3[c-]c(-c4ncccn4)[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ncccc4[2H])c3)ccc2c2ccccc21.[2H]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc([2H])ccn5)c4)ccc3c3ccccc32)c1.[C-]#[N+]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C#N)ccn5)c4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C56H50N8O2.C50H36N6O4.C48H34N8O2.C46H25F3N6O2.C46H22N8O2.C46H28N6O4.C44H22F2N6O2.C44H24N6O4.2C44H24N6O2.10Pd.10Pt/c1-35(2)61(36(3)4)40-22-26-57-54(30-40)63-50-16-11-9-14-46(50)48-20-18-42(33-52(48)63)65-44-28-39(56-59-24-13-25-60-56)29-45(32-44)66-43-19-21-49-47-15-10-12-17-51(47)64(53(49)34-43)55-31-41(23-27-58-55)62(37(5)6)38(7)8;1-31(2)57-36-18-22-51-48(29-36)55-44-12-7-5-10-40(44)42-16-14-34(27-46(42)55)59-38-24-33(50-53-20-9-21-54-50)25-39(26-38)60-35-15-17-43-41-11-6-8-13-45(41)56(47(43)28-35)49-30-37(19-23-52-49)58-32(3)4;1-53(2)32-18-22-49-46(26-32)55-42-12-7-5-10-38(42)40-16-14-34(29-44(40)55)57-36-24-31(48-51-20-9-21-52-48)25-37(28-36)58-35-15-17-41-39-11-6-8-13-43(39)56(45(41)30-35)47-27-33(54(3)4)19-23-50-47;1-28-15-19-50-43(21-28)54-39-9-4-2-7-35(39)37-13-11-31(26-41(37)54)56-33-22-29(45-52-17-6-18-53-45)23-34(25-33)57-32-12-14-38-36-8-3-5-10-40(36)55(42(38)27-32)44-24-30(16-20-51-44)46(47,48)49;1-48-31-16-20-50-45(24-31)54-41-10-5-3-8-37(41)39-14-12-33(27-43(39)54)56-35-23-30(46-51-17-6-18-52-46)22-34(25-35)55-32-11-13-38-36-7-2-4-9-40(36)53(42(38)26-32)44-21-29(28-47)15-19-49-44;1-54-31-16-20-48-45(27-31)52-41-10-5-3-8-37(41)39-14-12-33(26-43(39)52)56-35-23-30(46-49-17-6-18-50-46)22-34(24-35)55-32-11-13-38-36-7-2-4-9-40(36)51(42(38)25-32)44-21-29(28-53)15-19-47-44;45-28-14-18-47-42(22-28)51-38-8-3-1-6-34(38)36-12-10-30(25-40(36)51)53-32-20-27(44-49-16-5-17-50-44)21-33(24-32)54-31-11-13-37-35-7-2-4-9-39(35)52(41(37)26-31)43-23-29(46)15-19-48-43;51-28-14-18-45-42(22-28)49-38-8-3-1-6-34(38)36-12-10-30(25-40(36)49)53-32-20-27(44-47-16-5-17-48-44)21-33(24-32)54-31-11-13-37-35-7-2-4-9-39(35)50(41(37)26-31)43-23-29(52)15-19-46-43;2*1-3-12-38-34(10-1)36-18-16-30(27-40(36)49(38)42-14-5-7-20-45-42)51-32-24-29(44-47-22-9-23-48-44)25-33(26-32)52-31-17-19-37-35-11-2-4-13-39(35)50(41(37)28-31)43-15-6-8-21-46-43;;;;;;;;;;;;;;;;;;;;/h9-27,30-32,35-38H,1-8H3;5-23,26,29-32H,1-4H3;5-23,26-28H,1-4H3;2-21,24-25H,1H3;2-21,24-25H;2-21,24,27,53H,28H2,1H3;1-19,22-24H;1-19,22-24H,(H,45,51)(H,46,52);2*1-23,26H;;;;;;;;;;;;;;;;;;;;/q10*-4;20*+2/i;;;;;;;;14D,15D;5D,6D;;;;;;;;;;;;;;;;;;;;
InChIKeyVQPOCVYKMYOFSZ-KKFFCEKISA-N
XLogP104.97
TPSA928.29 Ų
H-Bond Donors3
H-Bond Acceptors91
Rotatable Bonds84
Heavy Atoms585
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 50010366.89
LogP ≤ 5104.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1091

Analyze 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide?
The IUPAC name of 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide (CID 157179161) is 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide.
What is the SMILES notation for 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide?
The canonical SMILES for 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide is CC(C)N(c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(N(C(C)C)C(C)C)ccn5)c4)ccc3c3ccccc32)c1)C(C)C.CC(C)Oc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(OC(C)C)ccn5)c4)ccc3c3ccccc32)c1.CN(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(N(C)C)ccn5)c4)ccc3c3ccccc32)c1.COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(CO)ccn5)c4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(F)(F)F)ccn5)c4)ccc3c3ccccc32)c1.Fc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(F)ccn5)c4)ccc3c3ccccc32)c1.Oc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(O)ccn5)c4)ccc3c3ccccc32)c1.[2H]c1cccnc1-n1c2[c-]c(Oc3[c-]c(-c4ncccn4)[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ncccc4[2H])c3)ccc2c2ccccc21.[2H]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc([2H])ccn5)c4)ccc3c3ccccc32)c1.[C-]#[N+]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ncccn5)[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C#N)ccn5)c4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide?
The InChIKey is VQPOCVYKMYOFSZ-KKFFCEKISA-N. The full InChI is InChI=1S/C56H50N8O2.C50H36N6O4.C48H34N8O2.C46H25F3N6O2.C46H22N8O2.C46H28N6O4.C44H22F2N6O2.C44H24N6O4.2C44H24N6O2.10Pd.10Pt/c1-35(2)61(36(3)4)40-22-26-57-54(30-40)63-50-16-11-9-14-46(50)48-20-18-42(33-52(48)63)65-44-28-39(56-59-24-13-25-60-56)29-45(32-44)66-43-19-21-49-47-15-10-12-17-51(47)64(53(49)34-43)55-31-41(23-27-58-55)62(37(5)6)38(7)8;1-31(2)57-36-18-22-51-48(29-36)55-44-12-7-5-10-40(44)42-16-14-34(27-46(42)55)59-38-24-33(50-53-20-9-21-54-50)25-39(26-38)60-35-15-17-43-41-11-6-8-13-45(41)56(47(43)28-35)49-30-37(19-23-52-49)58-32(3)4;1-53(2)32-18-22-49-46(26-32)55-42-12-7-5-10-38(42)40-16-14-34(29-44(40)55)57-36-24-31(48-51-20-9-21-52-48)25-37(28-36)58-35-15-17-41-39-11-6-8-13-43(39)56(45(41)30-35)47-27-33(54(3)4)19-23-50-47;1-28-15-19-50-43(21-28)54-39-9-4-2-7-35(39)37-13-11-31(26-41(37)54)56-33-22-29(45-52-17-6-18-53-45)23-34(25-33)57-32-12-14-38-36-8-3-5-10-40(36)55(42(38)27-32)44-24-30(16-20-51-44)46(47,48)49;1-48-31-16-20-50-45(24-31)54-41-10-5-3-8-37(41)39-14-12-33(27-43(39)54)56-35-23-30(46-51-17-6-18-52-46)22-34(25-35)55-32-11-13-38-36-7-2-4-9-40(36)53(42(38)26-32)44-21-29(28-47)15-19-49-44;1-54-31-16-20-48-45(27-31)52-41-10-5-3-8-37(41)39-14-12-33(26-43(39)52)56-35-23-30(46-49-17-6-18-50-46)22-34(24-35)55-32-11-13-38-36-7-2-4-9-40(36)51(42(38)25-32)44-21-29(28-53)15-19-47-44;45-28-14-18-47-42(22-28)51-38-8-3-1-6-34(38)36-12-10-30(25-40(36)51)53-32-20-27(44-49-16-5-17-50-44)21-33(24-32)54-31-11-13-37-35-7-2-4-9-39(35)52(41(37)26-31)43-23-29(46)15-19-48-43;51-28-14-18-45-42(22-28)49-38-8-3-1-6-34(38)36-12-10-30(25-40(36)49)53-32-20-27(44-47-16-5-17-48-44)21-33(24-32)54-31-11-13-37-35-7-2-4-9-39(35)50(41(37)26-31)43-23-29(52)15-19-46-43;2*1-3-12-38-34(10-1)36-18-16-30(27-40(36)49(38)42-14-5-7-20-45-42)51-32-24-29(44-47-22-9-23-48-44)25-33(26-32)52-31-17-19-37-35-11-2-4-13-39(35)50(41(37)28-31)43-15-6-8-21-46-43;;;;;;;;;;;;;;;;;;;;/h9-27,30-32,35-38H,1-8H3;5-23,26,29-32H,1-4H3;5-23,26-28H,1-4H3;2-21,24-25H,1H3;2-21,24-25H;2-21,24,27,53H,28H2,1H3;1-19,22-24H;1-19,22-24H,(H,45,51)(H,46,52);2*1-23,26H;;;;;;;;;;;;;;;;;;;;/q10*-4;20*+2/i;;;;;;;;14D,15D;5D,6D;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide?
9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide has a molecular weight of 10366.89 g/mol, XLogP of 104.97, 84 rotatable bonds, 3 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-deuterio-2-pyridinyl)-2-[3-[[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;9-(4-deuterio-2-pyridinyl)-2-[3-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[2-[3-[[9-[4-[di(propan-2-yl)amino]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-di(propan-2-yl)pyridin-4-amine;9-(4-fluoro-2-pyridinyl)-2-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide;2-[2-[3-[[9-(4-hydroxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-ol;2-[2-[3-[[9-(4-isocyano-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridine-4-carbonitrile;[2-[2-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;decakis(palladium(2+));decakis(platinum(2+));9-(4-propan-2-yloxy-2-pyridinyl)-2-[3-[[9-(4-propan-2-yloxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-pyrimidin-2-ylbenzene-4,6-diid-1-yl]oxy-1H-carbazol-1-ide is sourced from PubChem (CID 157179161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).