3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole

C218H138N42O2 — CID 158280087

IUPAC3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccnc(/C3=N/c4cccnc4/C(c4cc(-c5ccccc5)ccn4)=N\c4cccnc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)=N\c5cccnc54)cc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nnc(-c7ccccc7)[nH]6)cc5)=N\c5cccnc54)cc3)[nH]2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cccnc54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(C4=Nc5ncccc5C(c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)=Nc5ncccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C54H34N10.C50H32N8.C40H26N10.C40H24N8O2.C34H22N6/c1-5-15-37(16-6-1)49-59-50(38-17-7-2-8-18-38)62-53(61-49)41-29-25-35(26-30-41)45-47-43(23-13-33-55-47)58-46(48-44(57-45)24-14-34-56-48)36-27-31-42(32-28-36)54-63-51(39-19-9-3-10-20-39)60-52(64-54)40-21-11-4-12-22-40;1-3-13-37(14-4-1)57-43-21-9-7-19-41(43)53-49(57)35-27-23-33(24-28-35)45-39-17-11-31-51-47(39)56-46(40-18-12-32-52-48(40)55-45)34-25-29-36(30-26-34)50-54-42-20-8-10-22-44(42)58(50)38-15-5-2-6-16-38;1-3-9-27(10-4-1)37-45-39(49-47-37)29-19-15-25(16-20-29)33-35-31(13-7-23-41-35)44-34(36-32(43-33)14-8-24-42-36)26-17-21-30(22-18-26)40-46-38(48-50-40)28-11-5-2-6-12-28;1-3-9-27(10-4-1)37-45-47-39(49-37)29-19-15-25(16-20-29)33-35-31(13-7-23-41-35)44-34(36-32(43-33)14-8-24-42-36)26-17-21-30(22-18-26)40-48-46-38(50-40)28-11-5-2-6-12-28;1-3-9-23(10-4-1)25-15-19-35-29(21-25)33-31-27(13-7-17-37-31)40-34(32-28(39-33)14-8-18-38-32)30-22-26(16-20-36-30)24-11-5-2-6-12-24/h1-34H;1-32H;1-24H,(H,45,47,49)(H,46,48,50);1-24H;1-22H/b47-45+,48-46+,57-44-,57-45-,58-43-,58-46-;;2*35-33+,36-34+,43-32-,43-33-,44-31-,44-34-;33-31+,34-32+,39-28-,39-33-,40-27-,40-34-
InChIKeyGKCITWXSQZMZRW-JQXDPHNVSA-N
MW3377.79 g/mol
LogP46.49
Rot. Bonds30

About 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole

3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 158280087) has the molecular formula C218H138N42O2 and a molecular weight of 3377.79 g/mol. Its IUPAC name is 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
PubChem CID158280087
Molecular FormulaC218H138N42O2
Molecular Weight3377.79 g/mol
Exact Mass3375.20
IUPAC Name3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccnc(/C3=N/c4cccnc4/C(c4cc(-c5ccccc5)ccn4)=N\c4cccnc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)=N\c5cccnc54)cc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nnc(-c7ccccc7)[nH]6)cc5)=N\c5cccnc54)cc3)[nH]2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cccnc54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(C4=Nc5ncccc5C(c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)=Nc5ncccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C54H34N10.C50H32N8.C40H26N10.C40H24N8O2.C34H22N6/c1-5-15-37(16-6-1)49-59-50(38-17-7-2-8-18-38)62-53(61-49)41-29-25-35(26-30-41)45-47-43(23-13-33-55-47)58-46(48-44(57-45)24-14-34-56-48)36-27-31-42(32-28-36)54-63-51(39-19-9-3-10-20-39)60-52(64-54)40-21-11-4-12-22-40;1-3-13-37(14-4-1)57-43-21-9-7-19-41(43)53-49(57)35-27-23-33(24-28-35)45-39-17-11-31-51-47(39)56-46(40-18-12-32-52-48(40)55-45)34-25-29-36(30-26-34)50-54-42-20-8-10-22-44(42)58(50)38-15-5-2-6-16-38;1-3-9-27(10-4-1)37-45-39(49-47-37)29-19-15-25(16-20-29)33-35-31(13-7-23-41-35)44-34(36-32(43-33)14-8-24-42-36)26-17-21-30(22-18-26)40-46-38(48-50-40)28-11-5-2-6-12-28;1-3-9-27(10-4-1)37-45-47-39(49-37)29-19-15-25(16-20-29)33-35-31(13-7-23-41-35)44-34(36-32(43-33)14-8-24-42-36)26-17-21-30(22-18-26)40-48-46-38(50-40)28-11-5-2-6-12-28;1-3-9-23(10-4-1)25-15-19-35-29(21-25)33-31-27(13-7-17-37-31)40-34(32-28(39-33)14-8-18-38-32)30-22-26(16-20-36-30)24-11-5-2-6-12-24/h1-34H;1-32H;1-24H,(H,45,47,49)(H,46,48,50);1-24H;1-22H/b47-45+,48-46+,57-44-,57-45-,58-43-,58-46-;;2*35-33+,36-34+,43-32-,43-33-,44-31-,44-34-;33-31+,34-32+,39-28-,39-33-,40-27-,40-34-
InChIKeyGKCITWXSQZMZRW-JQXDPHNVSA-N
XLogP46.49
TPSA552.24 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003377.79
LogP ≤ 546.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole;9-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]carbazole
CID 160130312
2-tert-butyl-1-[10-(2-tert-butylbenzimidazol-1-yl)tetraphenylen-2-yl]benzimidazole;3-[1,3,4,9,10,11,12-heptakis(4H-1,2,4-triazol-3-yl)tetraphenylen-2-yl]-4H-1,2,4-triazole;3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine;2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole;1,2,3,4-tetrakis(4-methylphenyl)tetraphenylene
CID 160419212
1-[4,6-Bis(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;9-butan-2-ylcarbazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161135612
N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
CID 174365372
5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 174365409
2-[6-[5-[2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 139562159
2-methyl-5-[4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 144290351
2-[9-(3,5-Diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 157073302
2-[9-(3,5-Diphenylphenyl)carbazol-3-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-3-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-3-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 157093436
2,5-Bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 157099886
2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole
CID 157140401
2-(9H-carbazol-3-yl)-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;4,6-diphenylpyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-[5-[3-(N-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-phenylaniline;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 157156632

Frequently Asked Questions

What is the IUPAC name of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole (CID 158280087) is 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2ccnc(/C3=N/c4cccnc4/C(c4cc(-c5ccccc5)ccn4)=N\c4cccnc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)=N\c5cccnc54)cc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nnc(-c7ccccc7)[nH]6)cc5)=N\c5cccnc54)cc3)[nH]2)cc1.c1ccc(-c2nnc(-c3ccc(/C4=N/c5cccnc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cccnc54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(C4=Nc5ncccc5C(c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)=Nc5ncccc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is GKCITWXSQZMZRW-JQXDPHNVSA-N. The full InChI is InChI=1S/C54H34N10.C50H32N8.C40H26N10.C40H24N8O2.C34H22N6/c1-5-15-37(16-6-1)49-59-50(38-17-7-2-8-18-38)62-53(61-49)41-29-25-35(26-30-41)45-47-43(23-13-33-55-47)58-46(48-44(57-45)24-14-34-56-48)36-27-31-42(32-28-36)54-63-51(39-19-9-3-10-20-39)60-52(64-54)40-21-11-4-12-22-40;1-3-13-37(14-4-1)57-43-21-9-7-19-41(43)53-49(57)35-27-23-33(24-28-35)45-39-17-11-31-51-47(39)56-46(40-18-12-32-52-48(40)55-45)34-25-29-36(30-26-34)50-54-42-20-8-10-22-44(42)58(50)38-15-5-2-6-16-38;1-3-9-27(10-4-1)37-45-39(49-47-37)29-19-15-25(16-20-29)33-35-31(13-7-23-41-35)44-34(36-32(43-33)14-8-24-42-36)26-17-21-30(22-18-26)40-46-38(48-50-40)28-11-5-2-6-12-28;1-3-9-27(10-4-1)37-45-47-39(49-37)29-19-15-25(16-20-29)33-35-31(13-7-23-41-35)44-34(36-32(43-33)14-8-24-42-36)26-17-21-30(22-18-26)40-48-46-38(50-40)28-11-5-2-6-12-28;1-3-9-23(10-4-1)25-15-19-35-29(21-25)33-31-27(13-7-17-37-31)40-34(32-28(39-33)14-8-18-38-32)30-22-26(16-20-36-30)24-11-5-2-6-12-24/h1-34H;1-32H;1-24H,(H,45,47,49)(H,46,48,50);1-24H;1-22H/b47-45+,48-46+,57-44-,57-45-,58-43-,58-46-;;2*35-33+,36-34+,43-32-,43-33-,44-31-,44-34-;33-31+,34-32+,39-28-,39-33-,40-27-,40-34-.
What are the key properties of 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole?
3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 3377.79 g/mol, XLogP of 46.49, 30 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158280087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).