3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))

C260H150F10N30O12Pd5Pt5 — CID 158602456

IUPAC3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))
SMILESCOc1ccc2c3ccc(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccc(OC)cc7n8-c7ccccn7)ccc6)cn5)ccc4)[c-]c3n(-c3ccccn3)c2c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6C)c6cc(C(F)(F)F)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.Fc1ccc2c(c1)c1cc(F)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6F)c6cc(F)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6C([2H])([2H])[2H])c6cc(C)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[2H]c1ccc2c(c1)c1cc([2H])c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6[2H])c6cc([2H])ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C54H30F6N6O2.C54H36N6O2.C52H32N6O4.C50H24F4N6O2.C50H28N6O2.5Pd.5Pt/c1-31-15-17-45-38(21-31)41-26-42(54(58,59)60)50(28-48(41)65(45)51-13-3-5-19-61-51)68-37-12-8-10-34(24-37)44-30-63-43(29-64-44)33-9-7-11-36(23-33)67-49-27-47-39(22-32(49)2)40-25-35(53(55,56)57)16-18-46(40)66(47)52-14-4-6-20-62-52;1-33-17-19-47-41(23-33)43-25-35(3)51(29-49(43)59(47)53-15-5-7-21-55-53)61-39-13-9-11-37(27-39)45-31-58-46(32-57-45)38-12-10-14-40(28-38)62-52-30-50-44(26-36(52)4)42-24-34(2)18-20-48(42)60(50)54-16-6-8-22-56-54;1-59-35-15-19-41-43-21-17-39(29-49(43)57(47(41)27-35)51-13-3-5-23-53-51)61-37-11-7-9-33(25-37)45-31-56-46(32-55-45)34-10-8-12-38(26-34)62-40-18-22-44-42-20-16-36(60-2)28-48(42)58(50(44)30-40)52-14-4-6-24-54-52;51-31-13-15-43-35(21-31)37-23-39(53)47(25-45(37)59(43)49-11-1-3-17-55-49)61-33-9-5-7-29(19-33)41-27-58-42(28-57-41)30-8-6-10-34(20-30)62-48-26-46-38(24-40(48)54)36-22-32(52)14-16-44(36)60(46)50-12-2-4-18-56-50;1-3-17-45-39(15-1)41-23-21-37(29-47(41)55(45)49-19-5-7-25-51-49)57-35-13-9-11-33(27-35)43-31-54-44(32-53-43)34-12-10-14-36(28-34)58-38-22-24-42-40-16-2-4-18-46(40)56(48(42)30-38)50-20-6-8-26-52-50;;;;;;;;;;/h3-22,25-26,29-30H,1-2H3;5-26,31-32H,1-4H3;3-24,27-28,31-32H,1-2H3;1-18,21-24,27-28H;1-26,31-32H;;;;;;;;;;/q5*-4;10*+2/i;1D3,4D3;;;1D,2D,21D,22D;;;;;;;;;;
InChIKeyAZBVMMWBJQHIDC-DIMWWHDTSA-N
MW5593.79 g/mol
LogP62.34
Rot. Bonds44

About 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))

3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)) (PubChem CID 158602456) has the molecular formula C260H150F10N30O12Pd5Pt5 and a molecular weight of 5593.79 g/mol. Its IUPAC name is 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)).

Molecular Properties

Compound Name3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))
PubChem CID158602456
Molecular FormulaC260H150F10N30O12Pd5Pt5
Molecular Weight5593.79 g/mol
Exact Mass5587.59
IUPAC Name3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))
SMILESCOc1ccc2c3ccc(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccc(OC)cc7n8-c7ccccn7)ccc6)cn5)ccc4)[c-]c3n(-c3ccccn3)c2c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6C)c6cc(C(F)(F)F)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.Fc1ccc2c(c1)c1cc(F)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6F)c6cc(F)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6C([2H])([2H])[2H])c6cc(C)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[2H]c1ccc2c(c1)c1cc([2H])c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6[2H])c6cc([2H])ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C54H30F6N6O2.C54H36N6O2.C52H32N6O4.C50H24F4N6O2.C50H28N6O2.5Pd.5Pt/c1-31-15-17-45-38(21-31)41-26-42(54(58,59)60)50(28-48(41)65(45)51-13-3-5-19-61-51)68-37-12-8-10-34(24-37)44-30-63-43(29-64-44)33-9-7-11-36(23-33)67-49-27-47-39(22-32(49)2)40-25-35(53(55,56)57)16-18-46(40)66(47)52-14-4-6-20-62-52;1-33-17-19-47-41(23-33)43-25-35(3)51(29-49(43)59(47)53-15-5-7-21-55-53)61-39-13-9-11-37(27-39)45-31-58-46(32-57-45)38-12-10-14-40(28-38)62-52-30-50-44(26-36(52)4)42-24-34(2)18-20-48(42)60(50)54-16-6-8-22-56-54;1-59-35-15-19-41-43-21-17-39(29-49(43)57(47(41)27-35)51-13-3-5-23-53-51)61-37-11-7-9-33(25-37)45-31-56-46(32-55-45)34-10-8-12-38(26-34)62-40-18-22-44-42-20-16-36(60-2)28-48(42)58(50(44)30-40)52-14-4-6-24-54-52;51-31-13-15-43-35(21-31)37-23-39(53)47(25-45(37)59(43)49-11-1-3-17-55-49)61-33-9-5-7-29(19-33)41-27-58-42(28-57-41)30-8-6-10-34(20-30)62-48-26-46-38(24-40(48)54)36-22-32(52)14-16-44(36)60(46)50-12-2-4-18-56-50;1-3-17-45-39(15-1)41-23-21-37(29-47(41)55(45)49-19-5-7-25-51-49)57-35-13-9-11-33(27-35)43-31-54-44(32-53-43)34-12-10-14-36(28-34)58-38-22-24-42-40-16-2-4-18-46(40)56(48(42)30-38)50-20-6-8-26-52-50;;;;;;;;;;/h3-22,25-26,29-30H,1-2H3;5-26,31-32H,1-4H3;3-24,27-28,31-32H,1-2H3;1-18,21-24,27-28H;1-26,31-32H;;;;;;;;;;/q5*-4;10*+2/i;1D3,4D3;;;1D,2D,21D,22D;;;;;;;;;;
InChIKeyAZBVMMWBJQHIDC-DIMWWHDTSA-N
XLogP62.34
TPSA417.86 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds44
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005593.79
LogP ≤ 562.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)) with MolForge

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What is the IUPAC name of 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))?
The IUPAC name of 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)) (CID 158602456) is 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)).
What is the SMILES notation for 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))?
The canonical SMILES for 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)) is COc1ccc2c3ccc(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccc(OC)cc7n8-c7ccccn7)ccc6)cn5)ccc4)[c-]c3n(-c3ccccn3)c2c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6C)c6cc(C(F)(F)F)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.Fc1ccc2c(c1)c1cc(F)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6F)c6cc(F)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6C([2H])([2H])[2H])c6cc(C)ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[2H]c1ccc2c(c1)c1cc([2H])c(Oc3[c-]c(-c4cnc(-c5[c-]c(Oc6[c-]c7c(cc6[2H])c6cc([2H])ccc6n7-c6ccccn6)ccc5)cn4)ccc3)[c-]c1n2-c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))?
The InChIKey is AZBVMMWBJQHIDC-DIMWWHDTSA-N. The full InChI is InChI=1S/C54H30F6N6O2.C54H36N6O2.C52H32N6O4.C50H24F4N6O2.C50H28N6O2.5Pd.5Pt/c1-31-15-17-45-38(21-31)41-26-42(54(58,59)60)50(28-48(41)65(45)51-13-3-5-19-61-51)68-37-12-8-10-34(24-37)44-30-63-43(29-64-44)33-9-7-11-36(23-33)67-49-27-47-39(22-32(49)2)40-25-35(53(55,56)57)16-18-46(40)66(47)52-14-4-6-20-62-52;1-33-17-19-47-41(23-33)43-25-35(3)51(29-49(43)59(47)53-15-5-7-21-55-53)61-39-13-9-11-37(27-39)45-31-58-46(32-57-45)38-12-10-14-40(28-38)62-52-30-50-44(26-36(52)4)42-24-34(2)18-20-48(42)60(50)54-16-6-8-22-56-54;1-59-35-15-19-41-43-21-17-39(29-49(43)57(47(41)27-35)51-13-3-5-23-53-51)61-37-11-7-9-33(25-37)45-31-56-46(32-55-45)34-10-8-12-38(26-34)62-40-18-22-44-42-20-16-36(60-2)28-48(42)58(50(44)30-40)52-14-4-6-24-54-52;51-31-13-15-43-35(21-31)37-23-39(53)47(25-45(37)59(43)49-11-1-3-17-55-49)61-33-9-5-7-29(19-33)41-27-58-42(28-57-41)30-8-6-10-34(20-30)62-48-26-46-38(24-40(48)54)36-22-32(52)14-16-44(36)60(46)50-12-2-4-18-56-50;1-3-17-45-39(15-1)41-23-21-37(29-47(41)55(45)49-19-5-7-25-51-49)57-35-13-9-11-33(27-35)43-31-54-44(32-53-43)34-12-10-14-36(28-34)58-38-22-24-42-40-16-2-4-18-46(40)56(48(42)30-38)50-20-6-8-26-52-50;;;;;;;;;;/h3-22,25-26,29-30H,1-2H3;5-26,31-32H,1-4H3;3-24,27-28,31-32H,1-2H3;1-18,21-24,27-28H;1-26,31-32H;;;;;;;;;;/q5*-4;10*+2/i;1D3,4D3;;;1D,2D,21D,22D;;;;;;;;;;.
What are the key properties of 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+))?
3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)) has a molecular weight of 5593.79 g/mol, XLogP of 62.34, 44 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dideuterio-2-[3-[5-[3-[(3,6-dideuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[5-[3-[(3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-3,6-difluoro-9-pyridin-2-yl-1H-carbazol-1-ide;7-methoxy-2-[3-[5-[3-[(7-methoxy-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trideuteriomethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trideuteriomethyl)-1H-carbazol-1-ide;3-methyl-2-[3-[5-[3-[[6-methyl-9-pyridin-2-yl-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(palladium(2+));pentakis(platinum(2+)) is sourced from PubChem (CID 158602456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).