5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine

C332H232N10O25S4 — CID 158323864

IUPAC5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C(=O)c7cnccc76)cc5)cc4)c4ccccc4C(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=C(OC)c7cnccc76)cc5)cc4)c4ccccc4C=C(OC)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CC(=O)c7cnccc76)cc5)cc4)c4ccccc4CC(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Sc7cnccc76)cc5)cc4)c4ccccc4Sc4cnccc43)ccc2c1
InChIInChI=1S/C70H52N2O5.C68H48N2O5.C66H44N2O5.C64H44N2O7S2.C64H44N2O3S2/c1-5-7-37-75-59-27-19-47-39-55(21-17-49(47)41-59)69(63-15-11-9-13-51(63)43-67(73-3)61-45-71-35-33-65(61)69)53-23-29-57(30-24-53)77-58-31-25-54(26-32-58)70(56-22-18-50-42-60(76-38-8-6-2)28-20-48(50)40-56)64-16-12-10-14-52(64)44-68(74-4)62-46-72-36-34-66(62)70;1-3-5-35-73-57-25-17-45-37-53(19-15-47(45)39-57)67(61-13-9-7-11-49(61)41-65(71)59-43-69-33-31-63(59)67)51-21-27-55(28-22-51)75-56-29-23-52(24-30-56)68(54-20-16-48-40-58(74-36-6-4-2)26-18-46(48)38-54)62-14-10-8-12-50(62)42-66(72)60-44-70-34-32-64(60)68;1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)65(59-13-9-7-11-55(59)63(69)57-41-67-33-31-61(57)65)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)66(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)60-14-10-8-12-56(60)64(70)58-42-68-34-32-62(58)66;1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)74(67,68)61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)64(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)56-12-8-10-14-60(56)75(69,70)62-42-66-34-32-58(62)64;1-3-5-35-67-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)70-61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)69-52-29-23-48(24-30-52)64(56-12-8-10-14-60(56)71-62-42-66-34-32-58(62)64)50-20-16-46-40-54(68-36-6-4-2)26-18-44(46)38-50/h9-36,39-46H,37-38H2,1-4H3;7-34,37-40,43-44H,35-36,41-42H2,1-2H3;7-34,37-42H,35-36H2,1-2H3;7-34,37-42H,35-36H2,1-2H3;7-34,37-42H,35-36H2,1-2H3
InChIKeyGPEBTMRHGSUUOS-UHFFFAOYSA-N
MW4889.82 g/mol
LogP69.43
Rot. Bonds52

About 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine

5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine (PubChem CID 158323864) has the molecular formula C332H232N10O25S4 and a molecular weight of 4889.82 g/mol. Its IUPAC name is 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine.

Molecular Properties

Compound Name5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine
PubChem CID158323864
Molecular FormulaC332H232N10O25S4
Molecular Weight4889.82 g/mol
Exact Mass4885.61
IUPAC Name5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C(=O)c7cnccc76)cc5)cc4)c4ccccc4C(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=C(OC)c7cnccc76)cc5)cc4)c4ccccc4C=C(OC)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CC(=O)c7cnccc76)cc5)cc4)c4ccccc4CC(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Sc7cnccc76)cc5)cc4)c4ccccc4Sc4cnccc43)ccc2c1
InChIInChI=1S/C70H52N2O5.C68H48N2O5.C66H44N2O5.C64H44N2O7S2.C64H44N2O3S2/c1-5-7-37-75-59-27-19-47-39-55(21-17-49(47)41-59)69(63-15-11-9-13-51(63)43-67(73-3)61-45-71-35-33-65(61)69)53-23-29-57(30-24-53)77-58-31-25-54(26-32-58)70(56-22-18-50-42-60(76-38-8-6-2)28-20-48(50)40-56)64-16-12-10-14-52(64)44-68(74-4)62-46-72-36-34-66(62)70;1-3-5-35-73-57-25-17-45-37-53(19-15-47(45)39-57)67(61-13-9-7-11-49(61)41-65(71)59-43-69-33-31-63(59)67)51-21-27-55(28-22-51)75-56-29-23-52(24-30-56)68(54-20-16-48-40-58(74-36-6-4-2)26-18-46(48)38-54)62-14-10-8-12-50(62)42-66(72)60-44-70-34-32-64(60)68;1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)65(59-13-9-7-11-55(59)63(69)57-41-67-33-31-61(57)65)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)66(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)60-14-10-8-12-56(60)64(70)58-42-68-34-32-62(58)66;1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)74(67,68)61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)64(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)56-12-8-10-14-60(56)75(69,70)62-42-66-34-32-58(62)64;1-3-5-35-67-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)70-61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)69-52-29-23-48(24-30-52)64(56-12-8-10-14-60(56)71-62-42-66-34-32-58(62)64)50-20-16-46-40-54(68-36-6-4-2)26-18-44(46)38-50/h9-36,39-46H,37-38H2,1-4H3;7-34,37-40,43-44H,35-36,41-42H2,1-2H3;7-34,37-42H,35-36H2,1-2H3;7-34,37-42H,35-36H2,1-2H3;7-34,37-42H,35-36H2,1-2H3
InChIKeyGPEBTMRHGSUUOS-UHFFFAOYSA-N
XLogP69.43
TPSA422.37 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds52
Heavy Atoms371
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004889.82
LogP ≤ 569.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-But-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide
CID 153299333
5-(6-But-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenyl]methyl]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide
CID 153299401
2-[3-[8-(1-Ethylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]phenyl]acetonitrile;2-[4-[8-(1-ethylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]phenyl]acetonitrile;1-[4-[8-(1-ethylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]phenyl]ethanone;3-[4-[8-(1-ethylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]phenyl]propanenitrile;8-(1-ethylsulfonylpiperidin-4-yl)oxy-6-pyridin-4-ylisoquinoline
CID 159669781
CID 160836730
CID 160836730
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]isoquinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]isoquinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-c]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-c]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenyl]methyl]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenyl]methyl]phenyl]thiochromeno[2,3-c]pyridine
CID 160920123
1-(3,3-Dimethylbut-1-ynyl)-4-[1-(3,3-dimethylbut-1-ynyl)pyridin-1-ium-4-yl]pyridin-1-ium;bis(1,1-dioxo-2-[2-phenoxy-3-(1,1,3-trioxo-1-benzothiophen-2-ylidene)prop-1-enyl]-1-benzothiophen-3-olate);methane;bis(2-[2-methoxy-3-(1,1,3-trioxo-1-benzothiophen-2-ylidene)prop-1-enyl]-1,1-dioxo-1-benzothiophen-3-olate);1-(3-methylbut-2-enyl)-4-[1-(3-methylbut-2-enyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-(naphthalen-1-ylmethyl)-4-[1-(naphthalen-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 161469985
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[2-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]isoquinolin-5-yl]phenyl]propan-2-yl]phenyl]-10H-benzo[g]isoquinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[2-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-c]pyridin-5-yl]phenyl]propan-2-yl]phenyl]chromeno[2,3-c]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[2-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]propan-2-yl]phenyl]indeno[1,2-c]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[2-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenyl]propan-2-yl]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[2-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenyl]propan-2-yl]phenyl]thiochromeno[2,3-c]pyridine
CID 161527490

Frequently Asked Questions

What is the IUPAC name of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine?
The IUPAC name of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine (CID 158323864) is 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine.
What is the SMILES notation for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine?
The canonical SMILES for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine is CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C(=O)c7cnccc76)cc5)cc4)c4ccccc4C(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=C(OC)c7cnccc76)cc5)cc4)c4ccccc4C=C(OC)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CC(=O)c7cnccc76)cc5)cc4)c4ccccc4CC(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Sc7cnccc76)cc5)cc4)c4ccccc4Sc4cnccc43)ccc2c1.
What is the InChIKey of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine?
The InChIKey is GPEBTMRHGSUUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O5.C68H48N2O5.C66H44N2O5.C64H44N2O7S2.C64H44N2O3S2/c1-5-7-37-75-59-27-19-47-39-55(21-17-49(47)41-59)69(63-15-11-9-13-51(63)43-67(73-3)61-45-71-35-33-65(61)69)53-23-29-57(30-24-53)77-58-31-25-54(26-32-58)70(56-22-18-50-42-60(76-38-8-6-2)28-20-48(50)40-56)64-16-12-10-14-52(64)44-68(74-4)62-46-72-36-34-66(62)70;1-3-5-35-73-57-25-17-45-37-53(19-15-47(45)39-57)67(61-13-9-7-11-49(61)41-65(71)59-43-69-33-31-63(59)67)51-21-27-55(28-22-51)75-56-29-23-52(24-30-56)68(54-20-16-48-40-58(74-36-6-4-2)26-18-46(48)38-54)62-14-10-8-12-50(62)42-66(72)60-44-70-34-32-64(60)68;1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)65(59-13-9-7-11-55(59)63(69)57-41-67-33-31-61(57)65)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)66(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)60-14-10-8-12-56(60)64(70)58-42-68-34-32-62(58)66;1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)74(67,68)61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)64(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)56-12-8-10-14-60(56)75(69,70)62-42-66-34-32-58(62)64;1-3-5-35-67-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)70-61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)69-52-29-23-48(24-30-52)64(56-12-8-10-14-60(56)71-62-42-66-34-32-58(62)64)50-20-16-46-40-54(68-36-6-4-2)26-18-44(46)38-50/h9-36,39-46H,37-38H2,1-4H3;7-34,37-40,43-44H,35-36,41-42H2,1-2H3;7-34,37-42H,35-36H2,1-2H3;7-34,37-42H,35-36H2,1-2H3;7-34,37-42H,35-36H2,1-2H3.
What are the key properties of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine?
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine has a molecular weight of 4889.82 g/mol, XLogP of 69.43, 52 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenoxy]phenyl]-9-methoxy-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene;2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenoxy]phenyl]-6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10-oxobenzo[g]isoquinolin-5-yl]phenoxy]phenyl]benzo[g]isoquinolin-10-one;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)thiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine is sourced from PubChem (CID 158323864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).