acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide

C178H154Br3N13O10Pd2S61 — CID 161132412

IUPACacetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide
SMILESBr.Brc1cccc(-c2ccccn2)c1.CC(=O)O.CC(=O)O.CC(C)(C)S(O)=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(-n2c3cc(O)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-c5ccccn5)c4)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(Br)c1.COc1ccc2c(c1)[nH]c1c2ccc2sc3ccccc3c21.COc1ccc2c3ccc4sc5ccccc5c4c3n(-c3cc(C(C)(C)C)ccn3)c2c1.[Pd+2].[Pd]
InChIInChI=1S/C38H29N3OS.C38H27N3OS.C28H24N2OS.C27H22N2OS.C19H13NOS.C11H8BrN.C9H12BrN.C4H10OS56.2C2H4O2.BrH.2Pd/c2*1-38(2,3)25-18-20-40-35(22-25)41-32-23-27(42-26-10-8-9-24(21-26)31-12-6-7-19-39-31)14-15-28(32)29-16-17-34-36(37(29)41)30-11-4-5-13-33(30)43-34;1-28(2,3)17-13-14-29-25(15-17)30-22-16-18(31-4)9-10-19(22)20-11-12-24-26(27(20)30)21-7-5-6-8-23(21)32-24;1-27(2,3)16-12-13-28-24(14-16)29-21-15-17(30)8-9-18(21)19-10-11-23-25(26(19)29)20-6-4-5-7-22(20)31-23;1-21-11-6-7-12-13-8-9-17-18(19(13)20-15(12)10-11)14-4-2-3-5-16(14)22-17;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-9(2,3)7-4-5-11-8(10)6-7;1-4(2,3)61(5)60-59-58-57-56-55-54-53-52-51-50-49-48-47-46-45-44-43-42-41-40-39-38-37-36-35-34-33-32-31-30-29-28-27-26-25-24-23-22-21-20-19-18-17-16-15-14-13-12-11-10-9-8-7-6;2*1-2(3)4;;;/h4-23H,1-3H3;4-20,22H,1-3H3;5-16H,1-4H3;4-15,30H,1-3H3;2-10,20H,1H3;1-8H;4-6H,1-3H3;5H,1-3H3;2*1H3,(H,3,4);1H;;/q;-2;;;;;;;;;;;+2
InChIKeySQWMKJPSHIDMNA-UHFFFAOYSA-N
MW5043.91 g/mol
LogP50.71
Rot. Bonds13

About acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide

acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide (PubChem CID 161132412) has the molecular formula C178H154Br3N13O10Pd2S61 and a molecular weight of 5043.91 g/mol. Its IUPAC name is acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide.

Molecular Properties

Compound Nameacetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide
PubChem CID161132412
Molecular FormulaC178H154Br3N13O10Pd2S61
Molecular Weight5043.91 g/mol
Exact Mass5032.05
IUPAC Nameacetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide
SMILESBr.Brc1cccc(-c2ccccn2)c1.CC(=O)O.CC(=O)O.CC(C)(C)S(O)=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(-n2c3cc(O)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-c5ccccn5)c4)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(Br)c1.COc1ccc2c(c1)[nH]c1c2ccc2sc3ccccc3c21.COc1ccc2c3ccc4sc5ccccc5c4c3n(-c3cc(C(C)(C)C)ccn3)c2c1.[Pd+2].[Pd]
InChIInChI=1S/C38H29N3OS.C38H27N3OS.C28H24N2OS.C27H22N2OS.C19H13NOS.C11H8BrN.C9H12BrN.C4H10OS56.2C2H4O2.BrH.2Pd/c2*1-38(2,3)25-18-20-40-35(22-25)41-32-23-27(42-26-10-8-9-24(21-26)31-12-6-7-19-39-31)14-15-28(32)29-16-17-34-36(37(29)41)30-11-4-5-13-33(30)43-34;1-28(2,3)17-13-14-29-25(15-17)30-22-16-18(31-4)9-10-19(22)20-11-12-24-26(27(20)30)21-7-5-6-8-23(21)32-24;1-27(2,3)16-12-13-28-24(14-16)29-21-15-17(30)8-9-18(21)19-10-11-23-25(26(19)29)20-6-4-5-7-22(20)31-23;1-21-11-6-7-12-13-8-9-17-18(19(13)20-15(12)10-11)14-4-2-3-5-16(14)22-17;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-9(2,3)7-4-5-11-8(10)6-7;1-4(2,3)61(5)60-59-58-57-56-55-54-53-52-51-50-49-48-47-46-45-44-43-42-41-40-39-38-37-36-35-34-33-32-31-30-29-28-27-26-25-24-23-22-21-20-19-18-17-16-15-14-13-12-11-10-9-8-7-6;2*1-2(3)4;;;/h4-23H,1-3H3;4-20,22H,1-3H3;5-16H,1-4H3;4-15,30H,1-3H3;2-10,20H,1H3;1-8H;4-6H,1-3H3;5H,1-3H3;2*1H3,(H,3,4);1H;;/q;-2;;;;;;;;;;;+2
InChIKeySQWMKJPSHIDMNA-UHFFFAOYSA-N
XLogP50.71
TPSA290.61 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005043.91
LogP ≤ 550.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide with MolForge

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Launch Full Analysis

Related Compounds

CID 158974885
CID 158974885
10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
CID 176782344
3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-yl]oxy]aniline
CID 176783899
10-[3-(3-tert-butyl-4-phenylpyrazol-1-yl)phenoxy]-12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole
CID 176782568
12-(4-tert-butyl-2-pyridinyl)-10-[3-[1-(3,5-ditert-butylphenyl)-2H-[1]benzothiolo[2,3-d]imidazol-3-yl]phenoxy]-[1]benzothiolo[3,2-a]carbazole
CID 176783055
12-(4-tert-butyl-2-pyridinyl)-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-[1]benzothiolo[3,2-a]carbazole
CID 176782083
12-(4-tert-butyl-2-pyridinyl)-10-[3-(1-propan-2-yl-2H-[1]benzothiolo[2,3-d]imidazol-3-yl)phenoxy]-[1]benzothiolo[3,2-a]carbazole
CID 176783804
9-(4-methyl-2-pyridinyl)-2-[3-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazole;bis(palladium(2+))
CID 160782009
1-[3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-yl]oxy]phenyl]-3-methyl-2H-[1]benzofuro[2,3-d]imidazole
CID 176782107
10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140954347
13-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-21-thia-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11(16),12,14,18,20(28),22,24,26-tridecaene
CID 162487063
10-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 176782806

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide?
The IUPAC name of acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide (CID 161132412) is acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide.
What is the SMILES notation for acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide?
The canonical SMILES for acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide is Br.Brc1cccc(-c2ccccn2)c1.CC(=O)O.CC(=O)O.CC(C)(C)S(O)=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(-n2c3cc(O)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-c5ccccn5)c4)ccc3c3ccc4sc5ccccc5c4c32)c1.CC(C)(C)c1ccnc(Br)c1.COc1ccc2c(c1)[nH]c1c2ccc2sc3ccccc3c21.COc1ccc2c3ccc4sc5ccccc5c4c3n(-c3cc(C(C)(C)C)ccn3)c2c1.[Pd+2].[Pd].
What is the InChIKey of acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide?
The InChIKey is SQWMKJPSHIDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3OS.C38H27N3OS.C28H24N2OS.C27H22N2OS.C19H13NOS.C11H8BrN.C9H12BrN.C4H10OS56.2C2H4O2.BrH.2Pd/c2*1-38(2,3)25-18-20-40-35(22-25)41-32-23-27(42-26-10-8-9-24(21-26)31-12-6-7-19-39-31)14-15-28(32)29-16-17-34-36(37(29)41)30-11-4-5-13-33(30)43-34;1-28(2,3)17-13-14-29-25(15-17)30-22-16-18(31-4)9-10-19(22)20-11-12-24-26(27(20)30)21-7-5-6-8-23(21)32-24;1-27(2,3)16-12-13-28-24(14-16)29-21-15-17(30)8-9-18(21)19-10-11-23-25(26(19)29)20-6-4-5-7-22(20)31-23;1-21-11-6-7-12-13-8-9-17-18(19(13)20-15(12)10-11)14-4-2-3-5-16(14)22-17;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-9(2,3)7-4-5-11-8(10)6-7;1-4(2,3)61(5)60-59-58-57-56-55-54-53-52-51-50-49-48-47-46-45-44-43-42-41-40-39-38-37-36-35-34-33-32-31-30-29-28-27-26-25-24-23-22-21-20-19-18-17-16-15-14-13-12-11-10-9-8-7-6;2*1-2(3)4;;;/h4-23H,1-3H3;4-20,22H,1-3H3;5-16H,1-4H3;4-15,30H,1-3H3;2-10,20H,1H3;1-8H;4-6H,1-3H3;5H,1-3H3;2*1H3,(H,3,4);1H;;/q;-2;;;;;;;;;;;+2.
What are the key properties of acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide?
acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide has a molecular weight of 5043.91 g/mol, XLogP of 50.71, 13 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-bromo-4-tert-butylpyridine;2-(3-bromophenyl)pyridine;tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-ol;12-(4-tert-butyl-2-pyridinyl)-10-methoxy-[1]benzothiolo[3,2-a]carbazole;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;12-(4-tert-butyl-2-pyridinyl)-10-(3-pyridin-2-ylphenoxy)-[1]benzothiolo[3,2-a]carbazole;10-methoxy-12H-[1]benzothiolo[3,2-a]carbazole;palladium;palladium(2+);hydrobromide is sourced from PubChem (CID 161132412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).