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;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]phenyl]methyl]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]phenyl]methyl]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]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

C337H242N10O20S4 — CID 160836730

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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C(=O)c7cnccc76)cc5)cc4)c4ccccc4C(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=C(OC)c7cnccc76)cc5)cc4)c4ccccc4C=C(OC)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CC(=O)c7cnccc76)cc5)cc4)c4ccccc4CC(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Sc7cnccc76)cc5)cc4)c4ccccc4Sc4cnccc43)ccc2c1
InChIInChI=1S/C71H54N2O4.C69H50N2O4.C67H46N2O4.C65H46N2O6S2.C65H46N2O2S2/c1-5-7-37-76-60-31-23-50-40-58(29-21-52(50)42-60)70(64-15-11-9-13-54(64)44-68(74-3)62-46-72-35-33-66(62)70)56-25-17-48(18-26-56)39-49-19-27-57(28-20-49)71(59-30-22-53-43-61(77-38-8-6-2)32-24-51(53)41-59)65-16-12-10-14-55(65)45-69(75-4)63-47-73-36-34-67(63)71;1-3-5-35-74-58-29-21-48-38-56(27-19-50(48)40-58)68(62-13-9-7-11-52(62)42-66(72)60-44-70-33-31-64(60)68)54-23-15-46(16-24-54)37-47-17-25-55(26-18-47)69(57-28-20-51-41-59(75-36-6-4-2)30-22-49(51)39-57)63-14-10-8-12-53(63)43-67(73)61-45-71-34-32-65(61)69;1-3-5-35-72-54-29-21-46-38-52(27-19-48(46)40-54)66(60-13-9-7-11-56(60)64(70)58-42-68-33-31-62(58)66)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)67(53-28-20-49-41-55(73-36-6-4-2)30-22-47(49)39-53)61-14-10-8-12-57(61)65(71)59-43-69-34-32-63(59)67;1-3-5-35-72-54-29-21-46-38-52(27-19-48(46)40-54)64(56-11-7-9-13-60(56)74(68,69)62-42-66-33-31-58(62)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(53-28-20-49-41-55(73-36-6-4-2)30-22-47(49)39-53)57-12-8-10-14-61(57)75(70,71)63-43-67-34-32-59(63)65;1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(56-11-7-9-13-60(56)70-62-42-66-33-31-58(62)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(57-12-8-10-14-61(57)71-63-43-67-34-32-59(63)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h9-36,40-47H,37-39H2,1-4H3;7-34,38-41,44-45H,35-37,42-43H2,1-2H3;7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3
InChIKeySHMSWRYNPQDEAD-UHFFFAOYSA-N
MW4879.96 g/mol
LogP68.42
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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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

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;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]phenyl]methyl]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]phenyl]methyl]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]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 (PubChem CID 160836730) has the molecular formula C337H242N10O20S4 and a molecular weight of 4879.96 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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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.

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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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
PubChem CID160836730
Molecular FormulaC337H242N10O20S4
Molecular Weight4879.96 g/mol
Exact Mass4875.71
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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C(=O)c7cnccc76)cc5)cc4)c4ccccc4C(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=C(OC)c7cnccc76)cc5)cc4)c4ccccc4C=C(OC)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CC(=O)c7cnccc76)cc5)cc4)c4ccccc4CC(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Sc7cnccc76)cc5)cc4)c4ccccc4Sc4cnccc43)ccc2c1
InChIInChI=1S/C71H54N2O4.C69H50N2O4.C67H46N2O4.C65H46N2O6S2.C65H46N2O2S2/c1-5-7-37-76-60-31-23-50-40-58(29-21-52(50)42-60)70(64-15-11-9-13-54(64)44-68(74-3)62-46-72-35-33-66(62)70)56-25-17-48(18-26-56)39-49-19-27-57(28-20-49)71(59-30-22-53-43-61(77-38-8-6-2)32-24-51(53)41-59)65-16-12-10-14-55(65)45-69(75-4)63-47-73-36-34-67(63)71;1-3-5-35-74-58-29-21-48-38-56(27-19-50(48)40-58)68(62-13-9-7-11-52(62)42-66(72)60-44-70-33-31-64(60)68)54-23-15-46(16-24-54)37-47-17-25-55(26-18-47)69(57-28-20-51-41-59(75-36-6-4-2)30-22-49(51)39-57)63-14-10-8-12-53(63)43-67(73)61-45-71-34-32-65(61)69;1-3-5-35-72-54-29-21-46-38-52(27-19-48(46)40-54)66(60-13-9-7-11-56(60)64(70)58-42-68-33-31-62(58)66)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)67(53-28-20-49-41-55(73-36-6-4-2)30-22-47(49)39-53)61-14-10-8-12-57(61)65(71)59-43-69-34-32-63(59)67;1-3-5-35-72-54-29-21-46-38-52(27-19-48(46)40-54)64(56-11-7-9-13-60(56)74(68,69)62-42-66-33-31-58(62)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(53-28-20-49-41-55(73-36-6-4-2)30-22-47(49)39-53)57-12-8-10-14-61(57)75(70,71)63-43-67-34-32-59(63)65;1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(56-11-7-9-13-60(56)70-62-42-66-33-31-58(62)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(57-12-8-10-14-61(57)71-63-43-67-34-32-59(63)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h9-36,40-47H,37-39H2,1-4H3;7-34,38-41,44-45H,35-37,42-43H2,1-2H3;7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3
InChIKeySHMSWRYNPQDEAD-UHFFFAOYSA-N
XLogP68.42
TPSA376.22 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds52
Heavy Atoms371
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004879.96
LogP ≤ 568.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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 with MolForge

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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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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?
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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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 160836730) 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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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.
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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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?
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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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 is CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C(=O)c7cnccc76)cc5)cc4)c4ccccc4C(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=C(OC)c7cnccc76)cc5)cc4)c4ccccc4C=C(OC)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CC(=O)c7cnccc76)cc5)cc4)c4ccccc4CC(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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?
The InChIKey is SHMSWRYNPQDEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54N2O4.C69H50N2O4.C67H46N2O4.C65H46N2O6S2.C65H46N2O2S2/c1-5-7-37-76-60-31-23-50-40-58(29-21-52(50)42-60)70(64-15-11-9-13-54(64)44-68(74-3)62-46-72-35-33-66(62)70)56-25-17-48(18-26-56)39-49-19-27-57(28-20-49)71(59-30-22-53-43-61(77-38-8-6-2)32-24-51(53)41-59)65-16-12-10-14-55(65)45-69(75-4)63-47-73-36-34-67(63)71;1-3-5-35-74-58-29-21-48-38-56(27-19-50(48)40-58)68(62-13-9-7-11-52(62)42-66(72)60-44-70-33-31-64(60)68)54-23-15-46(16-24-54)37-47-17-25-55(26-18-47)69(57-28-20-51-41-59(75-36-6-4-2)30-22-49(51)39-57)63-14-10-8-12-53(63)43-67(73)61-45-71-34-32-65(61)69;1-3-5-35-72-54-29-21-46-38-52(27-19-48(46)40-54)66(60-13-9-7-11-56(60)64(70)58-42-68-33-31-62(58)66)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)67(53-28-20-49-41-55(73-36-6-4-2)30-22-47(49)39-53)61-14-10-8-12-57(61)65(71)59-43-69-34-32-63(59)67;1-3-5-35-72-54-29-21-46-38-52(27-19-48(46)40-54)64(56-11-7-9-13-60(56)74(68,69)62-42-66-33-31-58(62)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(53-28-20-49-41-55(73-36-6-4-2)30-22-47(49)39-53)57-12-8-10-14-61(57)75(70,71)63-43-67-34-32-59(63)65;1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(56-11-7-9-13-60(56)70-62-42-66-33-31-58(62)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(57-12-8-10-14-61(57)71-63-43-67-34-32-59(63)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h9-36,40-47H,37-39H2,1-4H3;7-34,38-41,44-45H,35-37,42-43H2,1-2H3;7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3.
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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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?
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;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]phenyl]methyl]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]phenyl]methyl]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]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 has a molecular weight of 4879.96 g/mol, XLogP of 68.42, 52 rotatable bonds, 0 hydrogen bond donors, and 32 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]phenyl]methyl]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]phenyl]methyl]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]phenyl]methyl]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]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 is sourced from PubChem (CID 160836730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).