2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

C208H109F15N28O8Pd8 — CID 161053596

IUPAC2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(C(F)(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.FC(F)(F)Cc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(CC(F)(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.FC(F)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(C(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.Fc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C54H29F6N7O2.C52H27F4N7O2.C52H28F3N7O2.C50H25F2N7O2.8Pd/c55-53(56,57)30-32-24-36(28-46-50(32)40-10-1-3-12-42(40)65(46)48-14-5-7-20-61-48)68-34-16-18-38-39-19-17-35(27-45(39)67(44(38)26-34)52-63-22-9-23-64-52)69-37-25-33(31-54(58,59)60)51-41-11-2-4-13-43(41)66(47(51)29-37)49-15-6-8-21-62-49;53-50(54)38-24-32(28-44-48(38)36-10-1-3-12-40(36)61(44)46-14-5-7-20-57-46)64-30-16-18-34-35-19-17-31(27-43(35)63(42(34)26-30)52-59-22-9-23-60-52)65-33-25-39(51(55)56)49-37-11-2-4-13-41(37)62(45(49)29-33)47-15-6-8-21-58-47;1-31-25-34(29-45-49(31)38-11-2-4-13-41(38)60(45)47-15-6-8-21-56-47)63-32-17-19-36-37-20-18-33(28-44(37)62(43(36)27-32)51-58-23-10-24-59-51)64-35-26-40(52(53,54)55)50-39-12-3-5-14-42(39)61(46(50)30-35)48-16-7-9-22-57-48;51-38-24-32(28-44-48(38)36-10-1-3-12-40(36)57(44)46-14-5-7-20-53-46)60-30-16-18-34-35-19-17-31(27-43(35)59(42(34)26-30)50-55-22-9-23-56-50)61-33-25-39(52)49-37-11-2-4-13-41(37)58(45(49)29-33)47-15-6-8-21-54-47;;;;;;;;/h1-25H,30-31H2;1-25,50-51H;2-26H,1H3;1-25H;;;;;;;;/q4*-4;8*+2
InChIKeyBMRJUVOBWMUTOP-UHFFFAOYSA-N
MW4264.68 g/mol
LogP51.04
Rot. Bonds32

About 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 161053596) has the molecular formula C208H109F15N28O8Pd8 and a molecular weight of 4264.68 g/mol. Its IUPAC name is 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

Molecular Properties

Compound Name2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
PubChem CID161053596
Molecular FormulaC208H109F15N28O8Pd8
Molecular Weight4264.68 g/mol
Exact Mass4258.10
IUPAC Name2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(C(F)(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.FC(F)(F)Cc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(CC(F)(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.FC(F)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(C(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.Fc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C54H29F6N7O2.C52H27F4N7O2.C52H28F3N7O2.C50H25F2N7O2.8Pd/c55-53(56,57)30-32-24-36(28-46-50(32)40-10-1-3-12-42(40)65(46)48-14-5-7-20-61-48)68-34-16-18-38-39-19-17-35(27-45(39)67(44(38)26-34)52-63-22-9-23-64-52)69-37-25-33(31-54(58,59)60)51-41-11-2-4-13-43(41)66(47(51)29-37)49-15-6-8-21-62-49;53-50(54)38-24-32(28-44-48(38)36-10-1-3-12-40(36)61(44)46-14-5-7-20-57-46)64-30-16-18-34-35-19-17-31(27-43(35)63(42(34)26-30)52-59-22-9-23-60-52)65-33-25-39(51(55)56)49-37-11-2-4-13-41(37)62(45(49)29-33)47-15-6-8-21-58-47;1-31-25-34(29-45-49(31)38-11-2-4-13-41(38)60(45)47-15-6-8-21-56-47)63-32-17-19-36-37-20-18-33(28-44(37)62(43(36)27-32)51-58-23-10-24-59-51)64-35-26-40(52(53,54)55)50-39-12-3-5-14-42(39)61(46(50)30-35)48-16-7-9-22-57-48;51-38-24-32(28-44-48(38)36-10-1-3-12-40(36)57(44)46-14-5-7-20-53-46)60-30-16-18-34-35-19-17-31(27-43(35)59(42(34)26-30)50-55-22-9-23-56-50)61-33-25-39(52)49-37-11-2-4-13-41(37)58(45(49)29-33)47-15-6-8-21-54-47;;;;;;;;/h1-25H,30-31H2;1-25,50-51H;2-26H,1H3;1-25H;;;;;;;;/q4*-4;8*+2
InChIKeyBMRJUVOBWMUTOP-UHFFFAOYSA-N
XLogP51.04
TPSA339.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004264.68
LogP ≤ 551.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) with MolForge

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Related Compounds

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
6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))
CID 157071401
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[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The IUPAC name of 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (CID 161053596) is 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).
What is the SMILES notation for 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The canonical SMILES for 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is Cc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(C(F)(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.FC(F)(F)Cc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(CC(F)(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.FC(F)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(C(F)F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.Fc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c5c(c(F)c4)c4ccccc4n5-c4ccccn4)[c-]c2n3-c2ncccn2)[c-]c2c1c1ccccc1n2-c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The InChIKey is BMRJUVOBWMUTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H29F6N7O2.C52H27F4N7O2.C52H28F3N7O2.C50H25F2N7O2.8Pd/c55-53(56,57)30-32-24-36(28-46-50(32)40-10-1-3-12-42(40)65(46)48-14-5-7-20-61-48)68-34-16-18-38-39-19-17-35(27-45(39)67(44(38)26-34)52-63-22-9-23-64-52)69-37-25-33(31-54(58,59)60)51-41-11-2-4-13-43(41)66(47(51)29-37)49-15-6-8-21-62-49;53-50(54)38-24-32(28-44-48(38)36-10-1-3-12-40(36)61(44)46-14-5-7-20-57-46)64-30-16-18-34-35-19-17-31(27-43(35)63(42(34)26-30)52-59-22-9-23-60-52)65-33-25-39(51(55)56)49-37-11-2-4-13-41(37)62(45(49)29-33)47-15-6-8-21-58-47;1-31-25-34(29-45-49(31)38-11-2-4-13-41(38)60(45)47-15-6-8-21-56-47)63-32-17-19-36-37-20-18-33(28-44(37)62(43(36)27-32)51-58-23-10-24-59-51)64-35-26-40(52(53,54)55)50-39-12-3-5-14-42(39)61(46(50)30-35)48-16-7-9-22-57-48;51-38-24-32(28-44-48(38)36-10-1-3-12-40(36)57(44)46-14-5-7-20-53-46)60-30-16-18-34-35-19-17-31(27-43(35)59(42(34)26-30)50-55-22-9-23-56-50)61-33-25-39(52)49-37-11-2-4-13-41(37)58(45(49)29-33)47-15-6-8-21-54-47;;;;;;;;/h1-25H,30-31H2;1-25,50-51H;2-26H,1H3;1-25H;;;;;;;;/q4*-4;8*+2.
What are the key properties of 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) has a molecular weight of 4264.68 g/mol, XLogP of 51.04, 32 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;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;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is sourced from PubChem (CID 161053596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).