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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))

C203H104F10N28O8Pd8 — CID 159694787

IUPAC2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))
SMILESCc1cc(C(F)(F)F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.FC(F)(F)c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.Fc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.Fc1nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc(F)c1F.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C52H28F3N7O2.C51H26F3N7O2.C50H24F3N7O2.C50H26FN7O2.8Pd/c1-31-26-48(52(53,54)55)59-51(58-31)62-46-29-34(63-32-16-20-38-36-10-2-4-12-42(36)60(44(38)27-32)49-14-6-8-24-56-49)18-22-40(46)41-23-19-35(30-47(41)62)64-33-17-21-39-37-11-3-5-13-43(37)61(45(39)28-33)50-15-7-9-25-57-50;52-51(53,54)31-29-57-50(58-30-31)61-46-27-34(62-32-15-19-38-36-9-1-3-11-42(36)59(44(38)25-32)48-13-5-7-23-55-48)17-21-40(46)41-22-18-35(28-47(41)61)63-33-16-20-39-37-10-2-4-12-43(37)60(45(39)26-33)49-14-6-8-24-56-49;51-47-48(52)56-50(57-49(47)53)60-43-27-31(61-29-15-19-35-33-9-1-3-11-39(33)58(41(35)25-29)45-13-5-7-23-54-45)17-21-37(43)38-22-18-32(28-44(38)60)62-30-16-20-36-34-10-2-4-12-40(34)59(42(36)26-30)46-14-6-8-24-55-46;51-31-29-54-50(55-30-31)58-46-27-34(59-32-15-19-38-36-9-1-3-11-42(36)56(44(38)25-32)48-13-5-7-23-52-48)17-21-40(46)41-22-18-35(28-47(41)58)60-33-16-20-39-37-10-2-4-12-43(37)57(45(39)26-33)49-14-6-8-24-53-49;;;;;;;;/h2-26H,1H3;1-24,29-30H;1-24H;1-24,29-30H;;;;;;;;/q4*-4;8*+2
InChIKeyZUVVFXMPIPMRBI-UHFFFAOYSA-N
MW4104.59 g/mol
LogP48.26
Rot. Bonds28

About 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))

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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+)) (PubChem CID 159694787) has the molecular formula C203H104F10N28O8Pd8 and a molecular weight of 4104.59 g/mol. Its IUPAC name is 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+)).

Molecular Properties

Compound Name2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))
PubChem CID159694787
Molecular FormulaC203H104F10N28O8Pd8
Molecular Weight4104.59 g/mol
Exact Mass4098.07
IUPAC Name2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))
SMILESCc1cc(C(F)(F)F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.FC(F)(F)c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.Fc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.Fc1nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc(F)c1F.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C52H28F3N7O2.C51H26F3N7O2.C50H24F3N7O2.C50H26FN7O2.8Pd/c1-31-26-48(52(53,54)55)59-51(58-31)62-46-29-34(63-32-16-20-38-36-10-2-4-12-42(36)60(44(38)27-32)49-14-6-8-24-56-49)18-22-40(46)41-23-19-35(30-47(41)62)64-33-17-21-39-37-11-3-5-13-43(37)61(45(39)28-33)50-15-7-9-25-57-50;52-51(53,54)31-29-57-50(58-30-31)61-46-27-34(62-32-15-19-38-36-9-1-3-11-42(36)59(44(38)25-32)48-13-5-7-23-55-48)17-21-40(46)41-22-18-35(28-47(41)61)63-33-16-20-39-37-10-2-4-12-43(37)60(45(39)26-33)49-14-6-8-24-56-49;51-47-48(52)56-50(57-49(47)53)60-43-27-31(61-29-15-19-35-33-9-1-3-11-39(33)58(41(35)25-29)45-13-5-7-23-54-45)17-21-37(43)38-22-18-32(28-44(38)60)62-30-16-20-36-34-10-2-4-12-40(34)59(42(36)26-30)46-14-6-8-24-55-46;51-31-29-54-50(55-30-31)58-46-27-34(59-32-15-19-38-36-9-1-3-11-42(36)56(44(38)25-32)48-13-5-7-23-52-48)17-21-40(46)41-22-18-35(28-47(41)58)60-33-16-20-39-37-10-2-4-12-43(37)57(45(39)26-33)49-14-6-8-24-53-49;;;;;;;;/h2-26H,1H3;1-24,29-30H;1-24H;1-24,29-30H;;;;;;;;/q4*-4;8*+2
InChIKeyZUVVFXMPIPMRBI-UHFFFAOYSA-N
XLogP48.26
TPSA339.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004104.59
LogP ≤ 548.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+)) 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-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;9-isoquinolin-1-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;6-methyl-9-(4-methyl-2-pyridinyl)-2-[3-[(5-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-quinolin-2-yl-1H-carbazol-1-ide
CID 157200701
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

Frequently Asked Questions

What is the IUPAC name of 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))?
The IUPAC name of 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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 159694787) is 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+)).
What is the SMILES notation for 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))?
The canonical SMILES for 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+)) is Cc1cc(C(F)(F)F)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.FC(F)(F)c1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.Fc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc1.Fc1nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)nc(F)c1F.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))?
The InChIKey is ZUVVFXMPIPMRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28F3N7O2.C51H26F3N7O2.C50H24F3N7O2.C50H26FN7O2.8Pd/c1-31-26-48(52(53,54)55)59-51(58-31)62-46-29-34(63-32-16-20-38-36-10-2-4-12-42(36)60(44(38)27-32)49-14-6-8-24-56-49)18-22-40(46)41-23-19-35(30-47(41)62)64-33-17-21-39-37-11-3-5-13-43(37)61(45(39)28-33)50-15-7-9-25-57-50;52-51(53,54)31-29-57-50(58-30-31)61-46-27-34(62-32-15-19-38-36-9-1-3-11-42(36)59(44(38)25-32)48-13-5-7-23-55-48)17-21-40(46)41-22-18-35(28-47(41)61)63-33-16-20-39-37-10-2-4-12-43(37)60(45(39)26-33)49-14-6-8-24-56-49;51-47-48(52)56-50(57-49(47)53)60-43-27-31(61-29-15-19-35-33-9-1-3-11-39(33)58(41(35)25-29)45-13-5-7-23-54-45)17-21-37(43)38-22-18-32(28-44(38)60)62-30-16-20-36-34-10-2-4-12-40(34)59(42(36)26-30)46-14-6-8-24-55-46;51-31-29-54-50(55-30-31)58-46-27-34(59-32-15-19-38-36-9-1-3-11-42(36)56(44(38)25-32)48-13-5-7-23-52-48)17-21-40(46)41-22-18-35(28-47(41)58)60-33-16-20-39-37-10-2-4-12-43(37)57(45(39)26-33)49-14-6-8-24-53-49;;;;;;;;/h2-26H,1H3;1-24,29-30H;1-24H;1-24,29-30H;;;;;;;;/q4*-4;8*+2.
What are the key properties of 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+))?
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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+)) has a molecular weight of 4104.59 g/mol, XLogP of 48.26, 28 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-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)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+)) is sourced from PubChem (CID 159694787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).