2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine

C276H165N23O2S5 — CID 161180699

IUPAC2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc4ccc5cc(-c6ccc(-n7c(-c8ccccc8)nc8ncccc87)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nc3ccccn3c2-c2ccc3sc4cc(-c5cc6ccc7cccc8ccc(c5)c6c78)ccc4c3c2)cc1.c1ccc(-c2nc3ncccn3c2-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7c(-c8ccccc8)nc8ncccn78)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)o8)cc7)cc7ccc(c4)c5c67)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)s8)cc7)cc7ccc(c4)c5c67)cc3)s2)cc1.c1ccc2sc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nc9ccccc9s8)cc7)cc7ccc(c4)c5c67)cc3)nc2c1
InChIInChI=1S/C53H33N5.C52H32N6.C44H26N4O2.C44H26N4S2.C42H24N2S2.C41H24N2S/c1-3-10-36(11-4-1)52-55-46-14-7-8-15-47(46)57(52)44-25-21-34(22-26-44)42-30-38-17-19-40-32-43(33-41-20-18-39(31-42)49(38)50(40)41)35-23-27-45(28-24-35)58-48-16-9-29-54-51(48)56-53(58)37-12-5-2-6-13-37;1-3-9-35(10-4-1)47-49(57-27-7-25-53-51(57)55-47)37-17-13-33(14-18-37)43-29-39-21-23-41-31-44(32-42-24-22-40(30-43)45(39)46(41)42)34-15-19-38(20-16-34)50-48(36-11-5-2-6-12-36)56-52-54-26-8-28-58(50)52;2*1-3-7-29(8-4-1)41-45-47-43(49-41)31-15-11-27(12-16-31)37-23-33-19-21-35-25-38(26-36-22-20-34(24-37)39(33)40(35)36)28-13-17-32(18-14-28)44-48-46-42(50-44)30-9-5-2-6-10-30;1-3-7-37-35(5-1)43-41(45-37)27-13-9-25(10-14-27)33-21-29-17-19-31-23-34(24-32-20-18-30(22-33)39(29)40(31)32)26-11-15-28(16-12-26)42-44-36-6-2-4-8-38(36)46-42;1-2-7-27(8-3-1)40-41(43-20-5-4-11-37(43)42-40)31-17-19-35-34(23-31)33-18-16-28(24-36(33)44-35)32-21-29-14-12-25-9-6-10-26-13-15-30(22-32)39(29)38(25)26/h1-33H;1-32H;2*1-26H;1-24H;1-24H
InChIKeyUSKIUOZRQBZGRN-UHFFFAOYSA-N
MW3995.85 g/mol
LogP73.71
Rot. Bonds31

About 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine

2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 161180699) has the molecular formula C276H165N23O2S5 and a molecular weight of 3995.85 g/mol. Its IUPAC name is 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine
PubChem CID161180699
Molecular FormulaC276H165N23O2S5
Molecular Weight3995.85 g/mol
Exact Mass3992.21
IUPAC Name2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc4ccc5cc(-c6ccc(-n7c(-c8ccccc8)nc8ncccc87)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nc3ccccn3c2-c2ccc3sc4cc(-c5cc6ccc7cccc8ccc(c5)c6c78)ccc4c3c2)cc1.c1ccc(-c2nc3ncccn3c2-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7c(-c8ccccc8)nc8ncccn78)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)o8)cc7)cc7ccc(c4)c5c67)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)s8)cc7)cc7ccc(c4)c5c67)cc3)s2)cc1.c1ccc2sc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nc9ccccc9s8)cc7)cc7ccc(c4)c5c67)cc3)nc2c1
InChIInChI=1S/C53H33N5.C52H32N6.C44H26N4O2.C44H26N4S2.C42H24N2S2.C41H24N2S/c1-3-10-36(11-4-1)52-55-46-14-7-8-15-47(46)57(52)44-25-21-34(22-26-44)42-30-38-17-19-40-32-43(33-41-20-18-39(31-42)49(38)50(40)41)35-23-27-45(28-24-35)58-48-16-9-29-54-51(48)56-53(58)37-12-5-2-6-13-37;1-3-9-35(10-4-1)47-49(57-27-7-25-53-51(57)55-47)37-17-13-33(14-18-37)43-29-39-21-23-41-31-44(32-42-24-22-40(30-43)45(39)46(41)42)34-15-19-38(20-16-34)50-48(36-11-5-2-6-12-36)56-52-54-26-8-28-58(50)52;2*1-3-7-29(8-4-1)41-45-47-43(49-41)31-15-11-27(12-16-31)37-23-33-19-21-35-25-38(26-36-22-20-34(24-37)39(33)40(35)36)28-13-17-32(18-14-28)44-48-46-42(50-44)30-9-5-2-6-10-30;1-3-7-37-35(5-1)43-41(45-37)27-13-9-25(10-14-27)33-21-29-17-19-31-23-34(24-32-20-18-30(22-33)39(29)40(31)32)26-11-15-28(16-12-26)42-44-36-6-2-4-8-38(36)46-42;1-2-7-27(8-3-1)40-41(43-20-5-4-11-37(43)42-40)31-17-19-35-34(23-31)33-18-16-28(24-36(33)44-35)32-21-29-14-12-25-9-6-10-26-13-15-30(22-32)39(29)38(25)26/h1-33H;1-32H;2*1-26H;1-24H;1-24H
InChIKeyUSKIUOZRQBZGRN-UHFFFAOYSA-N
XLogP73.71
TPSA281.39 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003995.85
LogP ≤ 573.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[3-[4-[3,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-naphthalen-1-ylphenyl]-1,3-benzothiazole;2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole;2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]-5-pyridin-3-ylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 158907544
Dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline
CID 157072745
4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane
CID 157169946
7-Dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzothiazole;7-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzothiazole;7-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[e][1,3]benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[e][1,3]benzothiazole;7-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-7-(4-phenylquinazolin-2-yl)benzo[e][1,3]benzothiazole;2-phenyl-7-(3-phenylquinoxalin-2-yl)benzo[e][1,3]benzothiazole;2-phenyl-7-quinolin-2-ylbenzo[e][1,3]benzothiazole
CID 157451274
4,7-Dimethyl-2-propan-2-ylquinazoline;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 157466511
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;1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;4,7-diphenyl-1,10-phenanthroline;ethane;2-phenyl-1,3-benzothiazole;2-(4-phenylphenyl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline;zinc
CID 157577900
bis(4-methylphenyl)-diphenylsilane;2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-bis(4-methylphenyl)-1,3,4-thiadiazole;9,10-dimethylanthracene;2,7-dimethyl-9H-carbazole;3,6-dimethyl-9H-carbazole;2,5-dimethyl-1,3,4-oxadiazole;2,7-dimethylphenanthrene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1H-pyrrole;2,6-dimethylquinoline;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene 1,1-dioxide;1,2,4-trimethylbenzene
CID 158030914
2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;2,7-dimethyl-9,9-diphenylfluorene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-3-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;5,8-dimethylpyrido[3,4-b]pyrazine;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethylthiophene;4-isocyano-2,5-dimethylbenzonitrile;4-methyl-N-(4-methylphenyl)-N-phenylaniline;1-methyl-4-[(E)-prop-1-enyl]benzene;2,3,5-trimethylthiophene
CID 158048190
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;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;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole;6-phenylpyrido[3,2-f][1,7]phenanthroline
CID 158544575
3,4-Dimethyl-5-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenylpyridine;3-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;2-methyl-5-phenylpyrimidine;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenylthiophene;6-methyl-3-phenyl-1,2,4-triazine;2-methyl-5-pyridin-2-ylpyridine;2-methyl-5-pyridin-2-ylpyrimidine;2-methyl-5-pyrimidin-2-ylpyrimidine
CID 158649675
2,5-Bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole
CID 159067503
18-Dibenzofuran-2-yl-10-(3-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-[3,5-di(carbazol-9-yl)phenyl]-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-pyridin-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 159121109

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine (CID 161180699) is 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc4ccc5cc(-c6ccc(-n7c(-c8ccccc8)nc8ncccc87)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nc3ccccn3c2-c2ccc3sc4cc(-c5cc6ccc7cccc8ccc(c5)c6c78)ccc4c3c2)cc1.c1ccc(-c2nc3ncccn3c2-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7c(-c8ccccc8)nc8ncccn78)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)o8)cc7)cc7ccc(c4)c5c67)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)s8)cc7)cc7ccc(c4)c5c67)cc3)s2)cc1.c1ccc2sc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nc9ccccc9s8)cc7)cc7ccc(c4)c5c67)cc3)nc2c1.
What is the InChIKey of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is USKIUOZRQBZGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5.C52H32N6.C44H26N4O2.C44H26N4S2.C42H24N2S2.C41H24N2S/c1-3-10-36(11-4-1)52-55-46-14-7-8-15-47(46)57(52)44-25-21-34(22-26-44)42-30-38-17-19-40-32-43(33-41-20-18-39(31-42)49(38)50(40)41)35-23-27-45(28-24-35)58-48-16-9-29-54-51(48)56-53(58)37-12-5-2-6-13-37;1-3-9-35(10-4-1)47-49(57-27-7-25-53-51(57)55-47)37-17-13-33(14-18-37)43-29-39-21-23-41-31-44(32-42-24-22-40(30-43)45(39)46(41)42)34-15-19-38(20-16-34)50-48(36-11-5-2-6-12-36)56-52-54-26-8-28-58(50)52;2*1-3-7-29(8-4-1)41-45-47-43(49-41)31-15-11-27(12-16-31)37-23-33-19-21-35-25-38(26-36-22-20-34(24-37)39(33)40(35)36)28-13-17-32(18-14-28)44-48-46-42(50-44)30-9-5-2-6-10-30;1-3-7-37-35(5-1)43-41(45-37)27-13-9-25(10-14-27)33-21-29-17-19-31-23-34(24-32-20-18-30(22-33)39(29)40(31)32)26-11-15-28(16-12-26)42-44-36-6-2-4-8-38(36)46-42;1-2-7-27(8-3-1)40-41(43-20-5-4-11-37(43)42-40)31-17-19-35-34(23-31)33-18-16-28(24-36(33)44-35)32-21-29-14-12-25-9-6-10-26-13-15-30(22-32)39(29)38(25)26/h1-33H;1-32H;2*1-26H;1-24H;1-24H.
What are the key properties of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine?
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 3995.85 g/mol, XLogP of 73.71, 31 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]imidazo[4,5-b]pyridine;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole;2-phenyl-3-(7-pyren-2-yldibenzothiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 161180699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).