cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine

C255H237Cd3N20O9- — CID 159838219

IUPACcadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc(C5=NC(C)(C)CO5)c4)c3)cc2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)cc2)=N1.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(C4=NC(C)(C)CO4)c3)n2)c1.[2H]C([2H])([2H])C1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=N[C-](C)CO5)cc4)n3)cc2)=N1.[2H]c1c(-c2cccc(C3=NC(C)(C)CO3)c2)nc(-c2cccc(C3=NC(C)(C)CO3)c2)c([2H])c1-c1ccc(-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N2C(c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cc5)n4)cc3)=NC(C)(C)C2(C)C)c([2H])c1[2H].[Cd].[Cd].[Cd]
InChIInChI=1S/C55H53N5.C42H40N2O2.C41H41N5O.C40H36N2O2.C39H35N3O2.C38H32N3O2.3Cd/c1-52(2)54(5,6)59(46-20-14-10-15-21-46)50(57-52)43-32-28-41(29-33-43)48-36-45(40-26-24-39(25-27-40)38-18-12-9-13-19-38)37-49(56-48)42-30-34-44(35-31-42)51-58-53(3,4)55(7,8)60(51)47-22-16-11-17-23-47;1-40(2)27-45-38(43-40)33-20-16-31(17-21-33)36-24-35(30-14-12-29(13-15-30)28-10-8-7-9-11-28)25-37(26-36)32-18-22-34(23-19-32)39-44-41(3,4)42(5,6)46-39;1-27-44-40(4,5)41(6,7)46(27)34-18-12-16-32(24-34)37-42-35(30-21-19-29(20-22-30)28-13-9-8-10-14-28)25-36(43-37)31-15-11-17-33(23-31)38-45-39(2,3)26-47-38;1-39(2)25-43-37(41-39)31-19-17-30(18-20-31)35-22-34(29-15-13-28(14-16-29)27-9-6-5-7-10-27)23-36(24-35)32-11-8-12-33(21-32)38-42-40(3,4)26-44-38;1-38(2)24-43-36(41-38)31-14-8-12-29(20-31)34-22-33(28-18-16-27(17-19-28)26-10-6-5-7-11-26)23-35(40-34)30-13-9-15-32(21-30)37-42-39(3,4)25-44-37;1-25-23-42-36(39-25)31-17-13-29(14-18-31)34-21-33(28-11-9-27(10-12-28)26-7-5-4-6-8-26)22-35(40-34)30-15-19-32(20-16-30)37-41-38(2,3)24-43-37;;;/h9-37H,1-8H3;7-26H,27H2,1-6H3;8-25H,26H2,1-7H3;5-24H,25-26H2,1-4H3;5-23H,24-25H2,1-4H3;4-22H,23-24H2,1-3H3;;;/q;;;;;-1;;;/i10D,14D,15D,20D,21D;;;;22D,23D;2D3;;;
InChIKeyNWMZPDMHGFUNPT-NSFDAEQNSA-N
MW4073.13 g/mol
LogP60.09
Rot. Bonds39

About cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine

cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine (PubChem CID 159838219) has the molecular formula C255H237Cd3N20O9- and a molecular weight of 4073.13 g/mol. Its IUPAC name is cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine.

Molecular Properties

Compound Namecadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine
PubChem CID159838219
Molecular FormulaC255H237Cd3N20O9-
Molecular Weight4073.13 g/mol
Exact Mass4074.64
IUPAC Namecadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc(C5=NC(C)(C)CO5)c4)c3)cc2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)cc2)=N1.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(C4=NC(C)(C)CO4)c3)n2)c1.[2H]C([2H])([2H])C1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=N[C-](C)CO5)cc4)n3)cc2)=N1.[2H]c1c(-c2cccc(C3=NC(C)(C)CO3)c2)nc(-c2cccc(C3=NC(C)(C)CO3)c2)c([2H])c1-c1ccc(-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N2C(c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cc5)n4)cc3)=NC(C)(C)C2(C)C)c([2H])c1[2H].[Cd].[Cd].[Cd]
InChIInChI=1S/C55H53N5.C42H40N2O2.C41H41N5O.C40H36N2O2.C39H35N3O2.C38H32N3O2.3Cd/c1-52(2)54(5,6)59(46-20-14-10-15-21-46)50(57-52)43-32-28-41(29-33-43)48-36-45(40-26-24-39(25-27-40)38-18-12-9-13-19-38)37-49(56-48)42-30-34-44(35-31-42)51-58-53(3,4)55(7,8)60(51)47-22-16-11-17-23-47;1-40(2)27-45-38(43-40)33-20-16-31(17-21-33)36-24-35(30-14-12-29(13-15-30)28-10-8-7-9-11-28)25-37(26-36)32-18-22-34(23-19-32)39-44-41(3,4)42(5,6)46-39;1-27-44-40(4,5)41(6,7)46(27)34-18-12-16-32(24-34)37-42-35(30-21-19-29(20-22-30)28-13-9-8-10-14-28)25-36(43-37)31-15-11-17-33(23-31)38-45-39(2,3)26-47-38;1-39(2)25-43-37(41-39)31-19-17-30(18-20-31)35-22-34(29-15-13-28(14-16-29)27-9-6-5-7-10-27)23-36(24-35)32-11-8-12-33(21-32)38-42-40(3,4)26-44-38;1-38(2)24-43-36(41-38)31-14-8-12-29(20-31)34-22-33(28-18-16-27(17-19-28)26-10-6-5-7-11-26)23-35(40-34)30-13-9-15-32(21-30)37-42-39(3,4)25-44-37;1-25-23-42-36(39-25)31-17-13-29(14-18-31)34-21-33(28-11-9-27(10-12-28)26-7-5-4-6-8-26)22-35(40-34)30-15-19-32(20-16-30)37-41-38(2,3)24-43-37;;;/h9-37H,1-8H3;7-26H,27H2,1-6H3;8-25H,26H2,1-7H3;5-24H,25-26H2,1-4H3;5-23H,24-25H2,1-4H3;4-22H,23-24H2,1-3H3;;;/q;;;;;-1;;;/i10D,14D,15D,20D,21D;;;;22D,23D;2D3;;;
InChIKeyNWMZPDMHGFUNPT-NSFDAEQNSA-N
XLogP60.09
TPSA305.56 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004073.13
LogP ≤ 560.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine?
The IUPAC name of cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine (CID 159838219) is cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine.
What is the SMILES notation for cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine?
The canonical SMILES for cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine is CC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc(C5=NC(C)(C)CO5)c4)c3)cc2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)cc2)=N1.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(C4=NC(C)(C)CO4)c3)n2)c1.[2H]C([2H])([2H])C1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=N[C-](C)CO5)cc4)n3)cc2)=N1.[2H]c1c(-c2cccc(C3=NC(C)(C)CO3)c2)nc(-c2cccc(C3=NC(C)(C)CO3)c2)c([2H])c1-c1ccc(-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N2C(c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cc5)n4)cc3)=NC(C)(C)C2(C)C)c([2H])c1[2H].[Cd].[Cd].[Cd].
What is the InChIKey of cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine?
The InChIKey is NWMZPDMHGFUNPT-NSFDAEQNSA-N. The full InChI is InChI=1S/C55H53N5.C42H40N2O2.C41H41N5O.C40H36N2O2.C39H35N3O2.C38H32N3O2.3Cd/c1-52(2)54(5,6)59(46-20-14-10-15-21-46)50(57-52)43-32-28-41(29-33-43)48-36-45(40-26-24-39(25-27-40)38-18-12-9-13-19-38)37-49(56-48)42-30-34-44(35-31-42)51-58-53(3,4)55(7,8)60(51)47-22-16-11-17-23-47;1-40(2)27-45-38(43-40)33-20-16-31(17-21-33)36-24-35(30-14-12-29(13-15-30)28-10-8-7-9-11-28)25-37(26-36)32-18-22-34(23-19-32)39-44-41(3,4)42(5,6)46-39;1-27-44-40(4,5)41(6,7)46(27)34-18-12-16-32(24-34)37-42-35(30-21-19-29(20-22-30)28-13-9-8-10-14-28)25-36(43-37)31-15-11-17-33(23-31)38-45-39(2,3)26-47-38;1-39(2)25-43-37(41-39)31-19-17-30(18-20-31)35-22-34(29-15-13-28(14-16-29)27-9-6-5-7-10-27)23-36(24-35)32-11-8-12-33(21-32)38-42-40(3,4)26-44-38;1-38(2)24-43-36(41-38)31-14-8-12-29(20-31)34-22-33(28-18-16-27(17-19-28)26-10-6-5-7-11-26)23-35(40-34)30-13-9-15-32(21-30)37-42-39(3,4)25-44-37;1-25-23-42-36(39-25)31-17-13-29(14-18-31)34-21-33(28-11-9-27(10-12-28)26-7-5-4-6-8-26)22-35(40-34)30-15-19-32(20-16-30)37-41-38(2,3)24-43-37;;;/h9-37H,1-8H3;7-26H,27H2,1-6H3;8-25H,26H2,1-7H3;5-24H,25-26H2,1-4H3;5-23H,24-25H2,1-4H3;4-22H,23-24H2,1-3H3;;;/q;;;;;-1;;;/i10D,14D,15D,20D,21D;;;;22D,23D;2D3;;;.
What are the key properties of cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine?
cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine has a molecular weight of 4073.13 g/mol, XLogP of 60.09, 39 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;2-[3-[3,5-dideuterio-6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole;4-methyl-2-[4-[6-[4-(4-methyl-5H-1,3-oxazol-4-id-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4-(trideuteriomethyl)-5H-1,3-oxazole;4-(4-phenylphenyl)-2-[4-[4,4,5,5-tetramethyl-1-(2,3,4,5,6-pentadeuteriophenyl)imidazol-2-yl]phenyl]-6-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyridine is sourced from PubChem (CID 159838219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).