2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole

C322H270N26O2S8 — CID 157418783

IUPAC2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)CS6)cn5)ccc34)nc2)=N1.CC1(C)CSC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)CS6)n5)ccc34)n2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cn5)ccc34)nc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)C(C)(C)S6)cn5)ccc34)nc2)SC1(C)C.CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)C(C)(C)O6)n5)ccc34)n2)OC1(C)C.CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)C(C)(C)S6)n5)ccc34)n2)SC1(C)C
InChIInChI=1S/C65H56N6.C53H46N4O2.2C53H46N4S2.2C49H38N4S2/c1-61(2)63(5,6)70(46-19-11-9-12-20-46)59(68-61)44-30-35-56(66-39-44)42-28-32-48-41(37-42)27-34-52-51-33-29-43(38-55(51)65(58(48)52)53-25-17-15-23-49(53)50-24-16-18-26-54(50)65)57-36-31-45(40-67-57)60-69-62(3,4)64(7,8)71(60)47-21-13-10-14-22-47;2*1-49(2)51(5,6)58-47(56-49)44-21-13-19-42(54-44)32-24-26-34-31(29-32)23-28-38-37-27-25-33(43-20-14-22-45(55-43)48-57-50(3,4)52(7,8)59-48)30-41(37)53(46(34)38)39-17-11-9-15-35(39)36-16-10-12-18-40(36)53;1-49(2)51(5,6)58-47(56-49)34-20-25-44(54-29-34)32-18-22-36-31(27-32)17-24-40-39-23-19-33(45-26-21-35(30-55-45)48-57-50(3,4)52(7,8)59-48)28-43(39)53(46(36)40)41-15-11-9-13-37(41)38-14-10-12-16-42(38)53;1-47(2)27-54-45(52-47)42-17-9-15-40(50-42)30-20-22-32-29(25-30)19-24-36-35-23-21-31(41-16-10-18-43(51-41)46-53-48(3,4)28-55-46)26-39(35)49(44(32)36)37-13-7-5-11-33(37)34-12-6-8-14-38(34)49;1-47(2)27-54-45(52-47)32-16-21-42(50-25-32)30-14-18-34-29(23-30)13-20-38-37-19-15-31(43-22-17-33(26-51-43)46-53-48(3,4)28-55-46)24-41(37)49(44(34)38)39-11-7-5-9-35(39)36-10-6-8-12-40(36)49/h9-40H,1-8H3;3*9-30H,1-8H3;2*5-26H,27-28H2,1-4H3
InChIKeyBPDWOYNMKMHUEV-UHFFFAOYSA-N
MW4792.42 g/mol
LogP77.45
Rot. Bonds26

About 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole

2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 157418783) has the molecular formula C322H270N26O2S8 and a molecular weight of 4792.42 g/mol. Its IUPAC name is 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole
PubChem CID157418783
Molecular FormulaC322H270N26O2S8
Molecular Weight4792.42 g/mol
Exact Mass4787.96
IUPAC Name2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)CS6)cn5)ccc34)nc2)=N1.CC1(C)CSC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)CS6)n5)ccc34)n2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cn5)ccc34)nc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)C(C)(C)S6)cn5)ccc34)nc2)SC1(C)C.CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)C(C)(C)O6)n5)ccc34)n2)OC1(C)C.CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)C(C)(C)S6)n5)ccc34)n2)SC1(C)C
InChIInChI=1S/C65H56N6.C53H46N4O2.2C53H46N4S2.2C49H38N4S2/c1-61(2)63(5,6)70(46-19-11-9-12-20-46)59(68-61)44-30-35-56(66-39-44)42-28-32-48-41(37-42)27-34-52-51-33-29-43(38-55(51)65(58(48)52)53-25-17-15-23-49(53)50-24-16-18-26-54(50)65)57-36-31-45(40-67-57)60-69-62(3,4)64(7,8)71(60)47-21-13-10-14-22-47;2*1-49(2)51(5,6)58-47(56-49)44-21-13-19-42(54-44)32-24-26-34-31(29-32)23-28-38-37-27-25-33(43-20-14-22-45(55-43)48-57-50(3,4)52(7,8)59-48)30-41(37)53(46(34)38)39-17-11-9-15-35(39)36-16-10-12-18-40(36)53;1-49(2)51(5,6)58-47(56-49)34-20-25-44(54-29-34)32-18-22-36-31(27-32)17-24-40-39-23-19-33(45-26-21-35(30-55-45)48-57-50(3,4)52(7,8)59-48)28-43(39)53(46(36)40)41-15-11-9-13-37(41)38-14-10-12-16-42(38)53;1-47(2)27-54-45(52-47)42-17-9-15-40(50-42)30-20-22-32-29(25-30)19-24-36-35-23-21-31(41-16-10-18-43(51-41)46-53-48(3,4)28-55-46)26-39(35)49(44(32)36)37-13-7-5-11-33(37)34-12-6-8-14-38(34)49;1-47(2)27-54-45(52-47)32-16-21-42(50-25-32)30-14-18-34-29(23-30)13-20-38-37-19-15-31(43-22-17-33(26-51-43)46-53-48(3,4)28-55-46)24-41(37)49(44(34)38)39-11-7-5-9-35(39)36-10-6-8-12-40(36)49/h9-40H,1-8H3;3*9-30H,1-8H3;2*5-26H,27-28H2,1-4H3
InChIKeyBPDWOYNMKMHUEV-UHFFFAOYSA-N
XLogP77.45
TPSA327.94 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms358
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004792.42
LogP ≤ 577.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole (CID 157418783) is 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole is CC1(C)CSC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)CS6)cn5)ccc34)nc2)=N1.CC1(C)CSC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)CS6)n5)ccc34)n2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cn5)ccc34)nc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)C(C)(C)S6)cn5)ccc34)nc2)SC1(C)C.CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)C(C)(C)O6)n5)ccc34)n2)OC1(C)C.CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4cc(-c5cccc(C6=NC(C)(C)C(C)(C)S6)n5)ccc34)n2)SC1(C)C.
What is the InChIKey of 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is BPDWOYNMKMHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N6.C53H46N4O2.2C53H46N4S2.2C49H38N4S2/c1-61(2)63(5,6)70(46-19-11-9-12-20-46)59(68-61)44-30-35-56(66-39-44)42-28-32-48-41(37-42)27-34-52-51-33-29-43(38-55(51)65(58(48)52)53-25-17-15-23-49(53)50-24-16-18-26-54(50)65)57-36-31-45(40-67-57)60-69-62(3,4)64(7,8)71(60)47-21-13-10-14-22-47;2*1-49(2)51(5,6)58-47(56-49)44-21-13-19-42(54-44)32-24-26-34-31(29-32)23-28-38-37-27-25-33(43-20-14-22-45(55-43)48-57-50(3,4)52(7,8)59-48)30-41(37)53(46(34)38)39-17-11-9-15-35(39)36-16-10-12-18-40(36)53;1-49(2)51(5,6)58-47(56-49)34-20-25-44(54-29-34)32-18-22-36-31(27-32)17-24-40-39-23-19-33(45-26-21-35(30-55-45)48-57-50(3,4)52(7,8)59-48)28-43(39)53(46(36)40)41-15-11-9-13-37(41)38-14-10-12-16-42(38)53;1-47(2)27-54-45(52-47)42-17-9-15-40(50-42)30-20-22-32-29(25-30)19-24-36-35-23-21-31(41-16-10-18-43(51-41)46-53-48(3,4)28-55-46)26-39(35)49(44(32)36)37-13-7-5-11-33(37)34-12-6-8-14-38(34)49;1-47(2)27-54-45(52-47)32-16-21-42(50-25-32)30-14-18-34-29(23-30)13-20-38-37-19-15-31(43-22-17-33(26-51-43)46-53-48(3,4)28-55-46)24-41(37)49(44(34)38)39-11-7-5-9-35(39)36-10-6-8-12-40(36)49/h9-40H,1-8H3;3*9-30H,1-8H3;2*5-26H,27-28H2,1-4H3.
What are the key properties of 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole?
2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 4792.42 g/mol, XLogP of 77.45, 26 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-[3-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-oxazole;4,4,5,5-tetramethyl-2-[6-[3-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[6-[3-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 157418783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).