N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide

C365H301I2N25O8S9 — CID 157445693

IUPACN,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide
SMILESCC(C)c1cccc(C(C)C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.C[n+]1ccn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c1.C[n+]1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c2ccccc21.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-n2cc(-c3c(C(C)C)cccc3C(C)C)nn2)c1.Cc1cccc(C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.[I-].[I-]
InChIInChI=1S/C63H57N3OS.C52H46N4OS.C48H42N2OS.C46H34N2OS2.C44H38N4OS.C40H30N4OS.C38H28N3OS.C34H26N3OS.2HI/c1-42-17-15-18-43(2)60(42)45-37-44(56-41-51(34-36-64-56)66(49-30-26-46(27-31-49)61(3,4)5)50-32-28-47(29-33-50)62(6,7)8)38-53(39-45)67-52-20-16-19-48(40-52)63(59-25-13-14-35-65-59)54-21-9-11-23-57(54)68-58-24-12-10-22-55(58)63;1-33(2)42-20-15-21-43(34(3)4)51(42)46-32-56(55-54-46)39-28-37(50-35(5)16-13-17-36(50)6)29-41(31-39)57-40-19-14-18-38(30-40)52(49-26-11-12-27-53-49)44-22-7-9-24-47(44)58-48-25-10-8-23-45(48)52;1-31-24-32(2)46(33(3)25-31)35-26-34(42-30-36(21-23-49-42)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)40-16-7-9-18-43(40)52-44-19-10-8-17-41(44)48;1-29-23-30(2)44(31(3)24-29)32-25-33(45-48-39-17-6-9-20-42(39)51-45)27-36(26-32)49-35-14-12-13-34(28-35)46(43-21-10-11-22-47-43)37-15-4-7-18-40(37)50-41-19-8-5-16-38(41)46;1-29(2)35-18-13-19-36(30(3)4)43(35)39-28-48(47-46-39)32-15-12-17-34(27-32)49-33-16-11-14-31(26-33)44(42-24-9-10-25-45-42)37-20-5-7-22-40(37)50-41-23-8-6-21-38(41)44;1-27-12-9-13-28(2)39(27)35-26-44(43-42-35)30-15-11-17-32(25-30)45-31-16-10-14-29(24-31)40(38-22-7-8-23-41-38)33-18-3-5-20-36(33)46-37-21-6-4-19-34(37)40;1-40-26-41(34-19-5-4-18-33(34)40)28-13-11-15-30(25-28)42-29-14-10-12-27(24-29)38(37-22-8-9-23-39-37)31-16-2-6-20-35(31)43-36-21-7-3-17-32(36)38;1-36-20-21-37(24-36)26-11-9-13-28(23-26)38-27-12-8-10-25(22-27)34(33-18-6-7-19-35-33)29-14-2-4-16-31(29)39-32-17-5-3-15-30(32)34;;/h9-41H,1-8H3;7-34H,1-6H3;7-30H,1-6H3;4-28H,1-3H3;5-30H,1-4H3;3-26H,1-2H3;2-26H,1H3;2-24H,1H3;2*1H/q;;;;;;2*+1;;/p-2
InChIKeyCKPYEVWPMJBYOO-UHFFFAOYSA-L
MW5708.00 g/mol
LogP86.53
Rot. Bonds54

About N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide

N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide (PubChem CID 157445693) has the molecular formula C365H301I2N25O8S9 and a molecular weight of 5708.00 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide
PubChem CID157445693
Molecular FormulaC365H301I2N25O8S9
Molecular Weight5708.00 g/mol
Exact Mass5702.95
IUPAC NameN,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide
SMILESCC(C)c1cccc(C(C)C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.C[n+]1ccn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c1.C[n+]1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c2ccccc21.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-n2cc(-c3c(C(C)C)cccc3C(C)C)nn2)c1.Cc1cccc(C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.[I-].[I-]
InChIInChI=1S/C63H57N3OS.C52H46N4OS.C48H42N2OS.C46H34N2OS2.C44H38N4OS.C40H30N4OS.C38H28N3OS.C34H26N3OS.2HI/c1-42-17-15-18-43(2)60(42)45-37-44(56-41-51(34-36-64-56)66(49-30-26-46(27-31-49)61(3,4)5)50-32-28-47(29-33-50)62(6,7)8)38-53(39-45)67-52-20-16-19-48(40-52)63(59-25-13-14-35-65-59)54-21-9-11-23-57(54)68-58-24-12-10-22-55(58)63;1-33(2)42-20-15-21-43(34(3)4)51(42)46-32-56(55-54-46)39-28-37(50-35(5)16-13-17-36(50)6)29-41(31-39)57-40-19-14-18-38(30-40)52(49-26-11-12-27-53-49)44-22-7-9-24-47(44)58-48-25-10-8-23-45(48)52;1-31-24-32(2)46(33(3)25-31)35-26-34(42-30-36(21-23-49-42)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)40-16-7-9-18-43(40)52-44-19-10-8-17-41(44)48;1-29-23-30(2)44(31(3)24-29)32-25-33(45-48-39-17-6-9-20-42(39)51-45)27-36(26-32)49-35-14-12-13-34(28-35)46(43-21-10-11-22-47-43)37-15-4-7-18-40(37)50-41-19-8-5-16-38(41)46;1-29(2)35-18-13-19-36(30(3)4)43(35)39-28-48(47-46-39)32-15-12-17-34(27-32)49-33-16-11-14-31(26-33)44(42-24-9-10-25-45-42)37-20-5-7-22-40(37)50-41-23-8-6-21-38(41)44;1-27-12-9-13-28(2)39(27)35-26-44(43-42-35)30-15-11-17-32(25-30)45-31-16-10-14-29(24-31)40(38-22-7-8-23-41-38)33-18-3-5-20-36(33)46-37-21-6-4-19-34(37)40;1-40-26-41(34-19-5-4-18-33(34)40)28-13-11-15-30(25-28)42-29-14-10-12-27(24-29)38(37-22-8-9-23-39-37)31-16-2-6-20-35(31)43-36-21-7-3-17-32(36)38;1-36-20-21-37(24-36)26-11-9-13-28(23-26)38-27-12-8-10-25(22-27)34(33-18-6-7-19-35-33)29-14-2-4-16-31(29)39-32-17-5-3-15-30(32)34;;/h9-41H,1-8H3;7-34H,1-6H3;7-30H,1-6H3;4-28H,1-3H3;5-30H,1-4H3;3-26H,1-2H3;2-26H,1H3;2-24H,1H3;2*1H/q;;;;;;2*+1;;/p-2
InChIKeyCKPYEVWPMJBYOO-UHFFFAOYSA-L
XLogP86.53
TPSA328.62 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds54
Heavy Atoms409
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005708.00
LogP ≤ 586.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide (CID 157445693) is N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide is CC(C)c1cccc(C(C)C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.C[n+]1ccn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c1.C[n+]1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c2ccccc21.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-n2cc(-c3c(C(C)C)cccc3C(C)C)nn2)c1.Cc1cccc(C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.[I-].[I-].
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide?
The InChIKey is CKPYEVWPMJBYOO-UHFFFAOYSA-L. The full InChI is InChI=1S/C63H57N3OS.C52H46N4OS.C48H42N2OS.C46H34N2OS2.C44H38N4OS.C40H30N4OS.C38H28N3OS.C34H26N3OS.2HI/c1-42-17-15-18-43(2)60(42)45-37-44(56-41-51(34-36-64-56)66(49-30-26-46(27-31-49)61(3,4)5)50-32-28-47(29-33-50)62(6,7)8)38-53(39-45)67-52-20-16-19-48(40-52)63(59-25-13-14-35-65-59)54-21-9-11-23-57(54)68-58-24-12-10-22-55(58)63;1-33(2)42-20-15-21-43(34(3)4)51(42)46-32-56(55-54-46)39-28-37(50-35(5)16-13-17-36(50)6)29-41(31-39)57-40-19-14-18-38(30-40)52(49-26-11-12-27-53-49)44-22-7-9-24-47(44)58-48-25-10-8-23-45(48)52;1-31-24-32(2)46(33(3)25-31)35-26-34(42-30-36(21-23-49-42)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)40-16-7-9-18-43(40)52-44-19-10-8-17-41(44)48;1-29-23-30(2)44(31(3)24-29)32-25-33(45-48-39-17-6-9-20-42(39)51-45)27-36(26-32)49-35-14-12-13-34(28-35)46(43-21-10-11-22-47-43)37-15-4-7-18-40(37)50-41-19-8-5-16-38(41)46;1-29(2)35-18-13-19-36(30(3)4)43(35)39-28-48(47-46-39)32-15-12-17-34(27-32)49-33-16-11-14-31(26-33)44(42-24-9-10-25-45-42)37-20-5-7-22-40(37)50-41-23-8-6-21-38(41)44;1-27-12-9-13-28(2)39(27)35-26-44(43-42-35)30-15-11-17-32(25-30)45-31-16-10-14-29(24-31)40(38-22-7-8-23-41-38)33-18-3-5-20-36(33)46-37-21-6-4-19-34(37)40;1-40-26-41(34-19-5-4-18-33(34)40)28-13-11-15-30(25-28)42-29-14-10-12-27(24-29)38(37-22-8-9-23-39-37)31-16-2-6-20-35(31)43-36-21-7-3-17-32(36)38;1-36-20-21-37(24-36)26-11-9-13-28(23-26)38-27-12-8-10-25(22-27)34(33-18-6-7-19-35-33)29-14-2-4-16-31(29)39-32-17-5-3-15-30(32)34;;/h9-41H,1-8H3;7-34H,1-6H3;7-30H,1-6H3;4-28H,1-3H3;5-30H,1-4H3;3-26H,1-2H3;2-26H,1H3;2-24H,1H3;2*1H/q;;;;;;2*+1;;/p-2.
What are the key properties of N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide?
N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide has a molecular weight of 5708.00 g/mol, XLogP of 86.53, 54 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-(2,6-dimethylphenyl)triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]thioxanthen-9-yl]pyridine;2-[9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]thioxanthen-9-yl]pyridine;1-methyl-3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]benzimidazol-1-ium;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;diiodide is sourced from PubChem (CID 157445693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).