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

C329H234N10O14S2 — CID 160920123

IUPAC5-(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
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cnccc76)cc5)cc4)c4ccccc4-c4cnccc43)ccc2c1.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)c7ccccc7Cc7cnccc76)cc5)cc4)c4ccccc4Cc4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Oc7cnccc76)cc5)cc4)c4ccccc4Oc4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Sc7cnccc76)cc5)cc4)c4ccccc4Sc4cnccc43)ccc2c1
InChIInChI=1S/C67H46N2O4.C67H50N2O2.C65H46N2O4.C65H46N2O2S2.C65H46N2O2/c1-3-5-35-72-54-29-21-46-38-52(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;1-3-5-35-70-60-29-21-48-40-58(27-19-50(48)42-60)66(62-13-9-7-11-52(62)38-54-44-68-33-31-64(54)66)56-23-15-46(16-24-56)37-47-17-25-57(26-18-47)67(63-14-10-8-12-53(63)39-55-45-69-34-32-65(55)67)59-28-20-51-43-61(71-36-6-4-2)30-22-49(51)41-59;2*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;1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(60-13-9-7-11-56(60)58-42-66-33-31-62(58)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(61-14-10-8-12-57(61)59-43-67-34-32-63(59)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h7-34,38-43H,35-37H2,1-2H3;7-34,40-45H,35-39H2,1-2H3;2*7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3
InChIKeySRXNCWRUEFMYAP-UHFFFAOYSA-N
MW4615.68 g/mol
LogP69.72
Rot. Bonds50

About 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

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 (PubChem CID 160920123) has the molecular formula C329H234N10O14S2 and a molecular weight of 4615.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID160920123
Molecular FormulaC329H234N10O14S2
Molecular Weight4615.68 g/mol
Exact Mass4611.73
IUPAC Name5-(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
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cnccc76)cc5)cc4)c4ccccc4-c4cnccc43)ccc2c1.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)c7ccccc7Cc7cnccc76)cc5)cc4)c4ccccc4Cc4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Oc7cnccc76)cc5)cc4)c4ccccc4Oc4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Sc7cnccc76)cc5)cc4)c4ccccc4Sc4cnccc43)ccc2c1
InChIInChI=1S/C67H46N2O4.C67H50N2O2.C65H46N2O4.C65H46N2O2S2.C65H46N2O2/c1-3-5-35-72-54-29-21-46-38-52(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;1-3-5-35-70-60-29-21-48-40-58(27-19-50(48)42-60)66(62-13-9-7-11-52(62)38-54-44-68-33-31-64(54)66)56-23-15-46(16-24-56)37-47-17-25-57(26-18-47)67(63-14-10-8-12-53(63)39-55-45-69-34-32-65(55)67)59-28-20-51-43-61(71-36-6-4-2)30-22-49(51)41-59;2*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;1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(60-13-9-7-11-56(60)58-42-66-33-31-62(58)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(61-14-10-8-12-57(61)59-43-67-34-32-63(59)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h7-34,38-43H,35-37H2,1-2H3;7-34,40-45H,35-39H2,1-2H3;2*7-34,38-43H,35-37H2,1-2H3;7-34,38-43H,35-37H2,1-2H3
InChIKeySRXNCWRUEFMYAP-UHFFFAOYSA-N
XLogP69.72
TPSA273.80 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms355
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004615.68
LogP ≤ 569.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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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)-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cnccc76)cc5)cc4)c4ccccc4-c4cnccc43)ccc2c1.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)c7ccccc7Cc7cnccc76)cc5)cc4)c4ccccc4Cc4cnccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Oc7cnccc76)cc5)cc4)c4ccccc4Oc4cnccc43)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)-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?
The InChIKey is SRXNCWRUEFMYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O4.C67H50N2O2.C65H46N2O4.C65H46N2O2S2.C65H46N2O2/c1-3-5-35-72-54-29-21-46-38-52(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;1-3-5-35-70-60-29-21-48-40-58(27-19-50(48)42-60)66(62-13-9-7-11-52(62)38-54-44-68-33-31-64(54)66)56-23-15-46(16-24-56)37-47-17-25-57(26-18-47)67(63-14-10-8-12-53(63)39-55-45-69-34-32-65(55)67)59-28-20-51-43-61(71-36-6-4-2)30-22-49(51)41-59;2*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;1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(60-13-9-7-11-56(60)58-42-66-33-31-62(58)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(61-14-10-8-12-57(61)59-43-67-34-32-63(59)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h7-34,38-43H,35-37H2,1-2H3;7-34,40-45H,35-39H2,1-2H3;2*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)-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?
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 has a molecular weight of 4615.68 g/mol, XLogP of 69.72, 50 rotatable bonds, 0 hydrogen bond donors, and 26 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)-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 is sourced from PubChem (CID 160920123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).