2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine

C335H246N10O12 — CID 161074364

IUPAC2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ncccc76)cc5)cc4)c4ccccc4-c4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=Cc7ncccc76)cc5)cc4)c4ccccc4C=Cc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CCc7ncccc76)cc5)cc4)c4ccccc4CCc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Cc7ncccc76)cc5)cc4)c4ccccc4Cc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Oc7ncccc76)cc5)cc4)c4ccccc4Oc4ncccc43)ccc2c1
InChIInChI=1S/C69H54N2O2.C69H50N2O2.C67H50N2O2.C65H46N2O4.C65H46N2O2/c2*1-3-5-41-72-60-35-25-52-44-58(33-23-54(52)46-60)68(62-15-9-7-13-50(62)27-37-66-64(68)17-11-39-70-66)56-29-19-48(20-30-56)43-49-21-31-57(32-22-49)69(59-34-24-55-47-61(73-42-6-4-2)36-26-53(55)45-59)63-16-10-8-14-51(63)28-38-67-65(69)18-12-40-71-67;1-3-5-37-70-58-33-25-48-40-56(31-23-50(48)42-58)66(60-15-9-7-13-52(60)44-64-62(66)17-11-35-68-64)54-27-19-46(20-28-54)39-47-21-29-55(30-22-47)67(61-16-10-8-14-53(61)45-65-63(67)18-12-36-69-65)57-32-24-51-43-59(71-38-6-4-2)34-26-49(51)41-57;1-3-5-37-68-54-33-25-46-40-52(31-23-48(46)42-54)64(56-13-7-9-17-60(56)70-62-58(64)15-11-35-66-62)50-27-19-44(20-28-50)39-45-21-29-51(30-22-45)65(57-14-8-10-18-61(57)71-63-59(65)16-12-36-67-63)53-32-24-49-43-55(69-38-6-4-2)34-26-47(49)41-53;1-3-5-37-68-54-33-25-46-40-52(31-23-48(46)42-54)64(58-15-9-7-13-56(58)62-60(64)17-11-35-66-62)50-27-19-44(20-28-50)39-45-21-29-51(30-22-45)65(59-16-10-8-14-57(59)63-61(65)18-12-36-67-63)53-32-24-49-43-55(69-38-6-4-2)34-26-47(49)41-53/h7-26,29-36,39-40,44-47H,27-28,37-38,41-43H2,1-2H3;7-40,44-47H,41-43H2,1-2H3;7-36,40-43H,37-39,44-45H2,1-2H3;7-36,40-43H,37-39H2,1-2H3;7-36,40-43H,37-39H2,1-2H3
InChIKeyUFBKDNBLQGGIJY-UHFFFAOYSA-N
MW4603.71 g/mol
LogP70.86
Rot. Bonds50

About 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine

2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine (PubChem CID 161074364) has the molecular formula C335H246N10O12 and a molecular weight of 4603.71 g/mol. Its IUPAC name is 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine
PubChem CID161074364
Molecular FormulaC335H246N10O12
Molecular Weight4603.71 g/mol
Exact Mass4599.89
IUPAC Name2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ncccc76)cc5)cc4)c4ccccc4-c4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=Cc7ncccc76)cc5)cc4)c4ccccc4C=Cc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CCc7ncccc76)cc5)cc4)c4ccccc4CCc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Cc7ncccc76)cc5)cc4)c4ccccc4Cc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Oc7ncccc76)cc5)cc4)c4ccccc4Oc4ncccc43)ccc2c1
InChIInChI=1S/C69H54N2O2.C69H50N2O2.C67H50N2O2.C65H46N2O4.C65H46N2O2/c2*1-3-5-41-72-60-35-25-52-44-58(33-23-54(52)46-60)68(62-15-9-7-13-50(62)27-37-66-64(68)17-11-39-70-66)56-29-19-48(20-30-56)43-49-21-31-57(32-22-49)69(59-34-24-55-47-61(73-42-6-4-2)36-26-53(55)45-59)63-16-10-8-14-51(63)28-38-67-65(69)18-12-40-71-67;1-3-5-37-70-58-33-25-48-40-56(31-23-50(48)42-58)66(60-15-9-7-13-52(60)44-64-62(66)17-11-35-68-64)54-27-19-46(20-28-54)39-47-21-29-55(30-22-47)67(61-16-10-8-14-53(61)45-65-63(67)18-12-36-69-65)57-32-24-51-43-59(71-38-6-4-2)34-26-49(51)41-57;1-3-5-37-68-54-33-25-46-40-52(31-23-48(46)42-54)64(56-13-7-9-17-60(56)70-62-58(64)15-11-35-66-62)50-27-19-44(20-28-50)39-45-21-29-51(30-22-45)65(57-14-8-10-18-61(57)71-63-59(65)16-12-36-67-63)53-32-24-49-43-55(69-38-6-4-2)34-26-47(49)41-53;1-3-5-37-68-54-33-25-46-40-52(31-23-48(46)42-54)64(58-15-9-7-13-56(58)62-60(64)17-11-35-66-62)50-27-19-44(20-28-50)39-45-21-29-51(30-22-45)65(59-16-10-8-14-57(59)63-61(65)18-12-36-67-63)53-32-24-49-43-55(69-38-6-4-2)34-26-47(49)41-53/h7-26,29-36,39-40,44-47H,27-28,37-38,41-43H2,1-2H3;7-40,44-47H,41-43H2,1-2H3;7-36,40-43H,37-39,44-45H2,1-2H3;7-36,40-43H,37-39H2,1-2H3;7-36,40-43H,37-39H2,1-2H3
InChIKeyUFBKDNBLQGGIJY-UHFFFAOYSA-N
XLogP70.86
TPSA239.66 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds50
Heavy Atoms357
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004603.71
LogP ≤ 570.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]methyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 153299356
8-(6-but-2-ynoxynaphthalen-2-yl)-8-[4-[[4-[8-(6-but-2-ynoxynaphthalen-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]methyl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153299475
2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]sulfanylphenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 153299415
5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine
CID 153299434
9-(6-but-2-ynoxynaphthalen-2-yl)-9-[4-[4-[9-(6-but-2-ynoxynaphthalen-2-yl)xanthen-9-yl]phenyl]sulfanylphenyl]xanthene
CID 153299422
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
CID 153299447
5-[4-[1,1-bis[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]ethyl]phenyl]-5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridine
CID 153299364
11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene
CID 153299426
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenoxy]phenyl]indeno[1,2-c]pyridine
CID 153299420
9-(6-but-2-ynoxynaphthalen-2-yl)-9-[4-[4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]phenoxy]phenyl]thioxanthene 10,10-dioxide
CID 153299477
4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]-N,N-bis[4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]phenyl]aniline
CID 153299495
9,9-bis[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]xanthene
CID 137456468

Frequently Asked Questions

What is the IUPAC name of 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine?
The IUPAC name of 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine (CID 161074364) is 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine.
What is the SMILES notation for 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine?
The canonical SMILES for 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine is CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ncccc76)cc5)cc4)c4ccccc4-c4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7C=Cc7ncccc76)cc5)cc4)c4ccccc4C=Cc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7CCc7ncccc76)cc5)cc4)c4ccccc4CCc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Cc7ncccc76)cc5)cc4)c4ccccc4Cc4ncccc43)ccc2c1.CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7Oc7ncccc76)cc5)cc4)c4ccccc4Oc4ncccc43)ccc2c1.
What is the InChIKey of 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine?
The InChIKey is UFBKDNBLQGGIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H54N2O2.C69H50N2O2.C67H50N2O2.C65H46N2O4.C65H46N2O2/c2*1-3-5-41-72-60-35-25-52-44-58(33-23-54(52)46-60)68(62-15-9-7-13-50(62)27-37-66-64(68)17-11-39-70-66)56-29-19-48(20-30-56)43-49-21-31-57(32-22-49)69(59-34-24-55-47-61(73-42-6-4-2)36-26-53(55)45-59)63-16-10-8-14-51(63)28-38-67-65(69)18-12-40-71-67;1-3-5-37-70-58-33-25-48-40-56(31-23-50(48)42-58)66(60-15-9-7-13-52(60)44-64-62(66)17-11-35-68-64)54-27-19-46(20-28-54)39-47-21-29-55(30-22-47)67(61-16-10-8-14-53(61)45-65-63(67)18-12-36-69-65)57-32-24-51-43-59(71-38-6-4-2)34-26-49(51)41-57;1-3-5-37-68-54-33-25-46-40-52(31-23-48(46)42-54)64(56-13-7-9-17-60(56)70-62-58(64)15-11-35-66-62)50-27-19-44(20-28-50)39-45-21-29-51(30-22-45)65(57-14-8-10-18-61(57)71-63-59(65)16-12-36-67-63)53-32-24-49-43-55(69-38-6-4-2)34-26-47(49)41-53;1-3-5-37-68-54-33-25-46-40-52(31-23-48(46)42-54)64(58-15-9-7-13-56(58)62-60(64)17-11-35-66-62)50-27-19-44(20-28-50)39-45-21-29-51(30-22-45)65(59-16-10-8-14-57(59)63-61(65)18-12-36-67-63)53-32-24-49-43-55(69-38-6-4-2)34-26-47(49)41-53/h7-26,29-36,39-40,44-47H,27-28,37-38,41-43H2,1-2H3;7-40,44-47H,41-43H2,1-2H3;7-36,40-43H,37-39,44-45H2,1-2H3;7-36,40-43H,37-39H2,1-2H3;7-36,40-43H,37-39H2,1-2H3.
What are the key properties of 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine?
2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine has a molecular weight of 4603.71 g/mol, XLogP of 70.86, 50 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]phenyl]methyl]phenyl]-7-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)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]phenyl]methyl]phenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]quinolin-5-yl]phenyl]methyl]phenyl]-10H-benzo[g]quinoline;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)chromeno[2,3-b]pyridin-5-yl]phenyl]methyl]phenyl]chromeno[2,3-b]pyridine;5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-b]pyridine is sourced from PubChem (CID 161074364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).