9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

C201H106F7N31O8Pd8 — CID 161064727

IUPAC9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCc1nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc(C(F)(F)F)n1.Fc1cc(F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.Fc1nc(F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]C([2H])([2H])c1nc(C)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C51H27F3N8O2.C51H30N8O2.C50H25F2N7O2.C49H24F2N8O2.8Pd/c1-30-57-49(51(52,53)54)59-50(58-30)62-45-28-33(63-31-16-20-37-35-10-2-4-12-41(35)60(43(37)26-31)47-14-6-8-24-55-47)18-22-39(45)40-23-19-34(29-46(40)62)64-32-17-21-38-36-11-3-5-13-42(36)61(44(38)27-32)48-15-7-9-25-56-48;1-31-54-32(2)56-51(55-31)59-47-29-35(60-33-17-21-39-37-11-3-5-13-43(37)57(45(39)27-33)49-15-7-9-25-52-49)19-23-41(47)42-24-20-36(30-48(42)59)61-34-18-22-40-38-12-4-6-14-44(38)58(46(40)28-34)50-16-8-10-26-53-50;51-46-29-47(52)56-50(55-46)59-44-27-32(60-30-15-19-36-34-9-1-3-11-40(34)57(42(36)25-30)48-13-5-7-23-53-48)17-21-38(44)39-22-18-33(28-45(39)59)61-31-16-20-37-35-10-2-4-12-41(35)58(43(37)26-31)49-14-6-8-24-54-49;50-47-54-48(51)56-49(55-47)59-43-27-31(60-29-15-19-35-33-9-1-3-11-39(33)57(41(35)25-29)45-13-5-7-23-52-45)17-21-37(43)38-22-18-32(28-44(38)59)61-30-16-20-36-34-10-2-4-12-40(34)58(42(36)26-30)46-14-6-8-24-53-46;;;;;;;;/h2-25H,1H3;3-26H,1-2H3;1-24,29H;1-24H;;;;;;;;/q4*-4;8*+2/i;1D3;;;;;;;;;;
InChIKeyDKDYLSIKVDTXEH-JZXCFEAYSA-N
MW4070.63 g/mol
LogP46.04
Rot. Bonds29

About 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 161064727) has the molecular formula C201H106F7N31O8Pd8 and a molecular weight of 4070.63 g/mol. Its IUPAC name is 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

Molecular Properties

Compound Name9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
PubChem CID161064727
Molecular FormulaC201H106F7N31O8Pd8
Molecular Weight4070.63 g/mol
Exact Mass4064.12
IUPAC Name9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCc1nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc(C(F)(F)F)n1.Fc1cc(F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.Fc1nc(F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]C([2H])([2H])c1nc(C)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C51H27F3N8O2.C51H30N8O2.C50H25F2N7O2.C49H24F2N8O2.8Pd/c1-30-57-49(51(52,53)54)59-50(58-30)62-45-28-33(63-31-16-20-37-35-10-2-4-12-41(35)60(43(37)26-31)47-14-6-8-24-55-47)18-22-39(45)40-23-19-34(29-46(40)62)64-32-17-21-38-36-11-3-5-13-42(36)61(44(38)27-32)48-15-7-9-25-56-48;1-31-54-32(2)56-51(55-31)59-47-29-35(60-33-17-21-39-37-11-3-5-13-43(37)57(45(39)27-33)49-15-7-9-25-52-49)19-23-41(47)42-24-20-36(30-48(42)59)61-34-18-22-40-38-12-4-6-14-44(38)58(46(40)28-34)50-16-8-10-26-53-50;51-46-29-47(52)56-50(55-46)59-44-27-32(60-30-15-19-36-34-9-1-3-11-40(34)57(42(36)25-30)48-13-5-7-23-53-48)17-21-38(44)39-22-18-33(28-45(39)59)61-31-16-20-37-35-10-2-4-12-41(35)58(43(37)26-31)49-14-6-8-24-54-49;50-47-54-48(51)56-49(55-47)59-43-27-31(60-29-15-19-35-33-9-1-3-11-39(33)57(41(35)25-29)45-13-5-7-23-52-45)17-21-37(43)38-22-18-32(28-44(38)59)61-30-16-20-36-34-10-2-4-12-40(34)58(42(36)26-30)46-14-6-8-24-53-46;;;;;;;;/h2-25H,1H3;3-26H,1-2H3;1-24,29H;1-24H;;;;;;;;/q4*-4;8*+2/i;1D3;;;;;;;;;;
InChIKeyDKDYLSIKVDTXEH-JZXCFEAYSA-N
XLogP46.04
TPSA377.91 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004070.63
LogP ≤ 546.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) with MolForge

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Related Compounds

9-[4-[4-[6-[6-(3,6-Difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
CID 138593219
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760911
2,7-bis[[4-(1,1,2,2,2-pentafluoroethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760985
2,7-bis[[9-pyridin-2-yl-4-(2,2,2-trifluoroethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761007
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[6-(trifluoromethyl)-1,2,4,5-tetrazin-3-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761050
bis(3,6-difluoro-2-[3-fluoro-5-[(4-methoxy-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;hexakis(platinum(2+));2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-[5-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-[6-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide
CID 157080588
9-[2-[2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]pyrido[2,3-b]indole;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-carbazol-9-ylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(difluoromethyl)pyrimidin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 157124881
9-[3-[2,7-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(2,6-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-3-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole;9-[5-(2,6-difluorophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(2,6-difluorophenyl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole
CID 157151693
CID 157179161
CID 157179161
2,7-Bis[[3-(4,6-difluoro-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4,6-dimethyl-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-(3-methyl-2-pyridinyl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-1,8-dihydrocarbazole-1,8-diide;2-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-7-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-1,8-dihydrocarbazole-1,8-diide;2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-7-[3-[5-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))
CID 157290947
CID 157312334
CID 157312334
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157373883

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The IUPAC name of 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (CID 161064727) is 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).
What is the SMILES notation for 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The canonical SMILES for 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is Cc1nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc(C(F)(F)F)n1.Fc1cc(F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.Fc1nc(F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]C([2H])([2H])c1nc(C)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The InChIKey is DKDYLSIKVDTXEH-JZXCFEAYSA-N. The full InChI is InChI=1S/C51H27F3N8O2.C51H30N8O2.C50H25F2N7O2.C49H24F2N8O2.8Pd/c1-30-57-49(51(52,53)54)59-50(58-30)62-45-28-33(63-31-16-20-37-35-10-2-4-12-41(35)60(43(37)26-31)47-14-6-8-24-55-47)18-22-39(45)40-23-19-34(29-46(40)62)64-32-17-21-38-36-11-3-5-13-42(36)61(44(38)27-32)48-15-7-9-25-56-48;1-31-54-32(2)56-51(55-31)59-47-29-35(60-33-17-21-39-37-11-3-5-13-43(37)57(45(39)27-33)49-15-7-9-25-52-49)19-23-41(47)42-24-20-36(30-48(42)59)61-34-18-22-40-38-12-4-6-14-44(38)58(46(40)28-34)50-16-8-10-26-53-50;51-46-29-47(52)56-50(55-46)59-44-27-32(60-30-15-19-36-34-9-1-3-11-40(34)57(42(36)25-30)48-13-5-7-23-53-48)17-21-38(44)39-22-18-33(28-45(39)59)61-31-16-20-37-35-10-2-4-12-41(35)58(43(37)26-31)49-14-6-8-24-54-49;50-47-54-48(51)56-49(55-47)59-43-27-31(60-29-15-19-35-33-9-1-3-11-39(33)57(41(35)25-29)45-13-5-7-23-52-45)17-21-37(43)38-22-18-32(28-44(38)59)61-30-16-20-36-34-10-2-4-12-40(34)58(42(36)26-30)46-14-6-8-24-53-46;;;;;;;;/h2-25H,1H3;3-26H,1-2H3;1-24,29H;1-24H;;;;;;;;/q4*-4;8*+2/i;1D3;;;;;;;;;;.
What are the key properties of 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) has a molecular weight of 4070.63 g/mol, XLogP of 46.04, 29 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is sourced from PubChem (CID 161064727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).