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

C237H145N19OS9 — CID 157451274

IUPAC7-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccc6)nc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccc6)nc54)c3)n2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5ccc6ccccc6n5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5cccc6c5oc5ccccc56)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5cccc6c5sc5ccccc56)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nc6ccccc6nc5-c5ccccc5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nccc6ccccc56)ccc43)s2)cc1
InChIInChI=1S/C33H21N3S.C32H20N4S.2C31H19N3S.C29H17NOS.C29H17NS2.2C26H16N2S/c1-4-10-22(11-5-1)28-21-29(23-12-6-2-7-13-23)35-32(34-28)26-16-18-27-25(20-26)17-19-30-31(27)36-33(37-30)24-14-8-3-9-15-24;1-4-10-21(11-5-1)29-34-30(22-12-6-2-7-13-22)36-31(35-29)25-16-18-26-24(20-25)17-19-27-28(26)33-32(37-27)23-14-8-3-9-15-23;1-3-9-20(10-4-1)28-29(33-26-14-8-7-13-25(26)32-28)23-15-17-24-22(19-23)16-18-27-30(24)34-31(35-27)21-11-5-2-6-12-21;1-3-9-20(10-4-1)28-25-13-7-8-14-26(25)32-30(33-28)23-15-17-24-22(19-23)16-18-27-29(24)34-31(35-27)21-11-5-2-6-12-21;2*1-2-7-18(8-3-1)29-30-27-21-15-13-20(17-19(21)14-16-26(27)32-29)22-10-6-11-24-23-9-4-5-12-25(23)31-28(22)24;1-2-7-18(8-3-1)26-28-25-21-13-10-20(16-19(21)12-15-24(25)29-26)23-14-11-17-6-4-5-9-22(17)27-23;1-2-7-18(8-3-1)26-28-25-22-12-10-20(16-19(22)11-13-23(25)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h1-21H;1-20H;2*1-19H;2*1-17H;2*1-16H
InChIKeyBSVHJWDQTZHELQ-UHFFFAOYSA-N
MW3563.50 g/mol
LogP66.50
Rot. Bonds22

About 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

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 (PubChem CID 157451274) has the molecular formula C237H145N19OS9 and a molecular weight of 3563.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID157451274
Molecular FormulaC237H145N19OS9
Molecular Weight3563.50 g/mol
Exact Mass3559.94
IUPAC Name7-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccc6)nc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccc6)nc54)c3)n2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5ccc6ccccc6n5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5cccc6c5oc5ccccc56)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5cccc6c5sc5ccccc56)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nc6ccccc6nc5-c5ccccc5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nccc6ccccc56)ccc43)s2)cc1
InChIInChI=1S/C33H21N3S.C32H20N4S.2C31H19N3S.C29H17NOS.C29H17NS2.2C26H16N2S/c1-4-10-22(11-5-1)28-21-29(23-12-6-2-7-13-23)35-32(34-28)26-16-18-27-25(20-26)17-19-30-31(27)36-33(37-30)24-14-8-3-9-15-24;1-4-10-21(11-5-1)29-34-30(22-12-6-2-7-13-22)36-31(35-29)25-16-18-26-24(20-25)17-19-27-28(26)33-32(37-27)23-14-8-3-9-15-23;1-3-9-20(10-4-1)28-29(33-26-14-8-7-13-25(26)32-28)23-15-17-24-22(19-23)16-18-27-30(24)34-31(35-27)21-11-5-2-6-12-21;1-3-9-20(10-4-1)28-25-13-7-8-14-26(25)32-30(33-28)23-15-17-24-22(19-23)16-18-27-29(24)34-31(35-27)21-11-5-2-6-12-21;2*1-2-7-18(8-3-1)29-30-27-21-15-13-20(17-19(21)14-16-26(27)32-29)22-10-6-11-24-23-9-4-5-12-25(23)31-28(22)24;1-2-7-18(8-3-1)26-28-25-21-13-10-20(16-19(21)12-15-24(25)29-26)23-14-11-17-6-4-5-9-22(17)27-23;1-2-7-18(8-3-1)26-28-25-22-12-10-20(16-19(22)11-13-23(25)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h1-21H;1-20H;2*1-19H;2*1-17H;2*1-16H
InChIKeyBSVHJWDQTZHELQ-UHFFFAOYSA-N
XLogP66.50
TPSA258.05 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003563.50
LogP ≤ 566.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
CID 157652393
CID 157652393
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;2-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]-3-phenylbenzimidazole-5-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 162122198
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccc6)nc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccc6)nc54)c3)n2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5ccc6ccccc6n5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5cccc6c5oc5ccccc56)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5cccc6c5sc5ccccc56)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nc6ccccc6nc5-c5ccccc5)ccc43)s2)cc1.c1ccc(-c2nc3c(ccc4cc(-c5nccc6ccccc56)ccc43)s2)cc1.
What is the InChIKey of 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?
The InChIKey is BSVHJWDQTZHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S.C32H20N4S.2C31H19N3S.C29H17NOS.C29H17NS2.2C26H16N2S/c1-4-10-22(11-5-1)28-21-29(23-12-6-2-7-13-23)35-32(34-28)26-16-18-27-25(20-26)17-19-30-31(27)36-33(37-30)24-14-8-3-9-15-24;1-4-10-21(11-5-1)29-34-30(22-12-6-2-7-13-22)36-31(35-29)25-16-18-26-24(20-25)17-19-27-28(26)33-32(37-27)23-14-8-3-9-15-23;1-3-9-20(10-4-1)28-29(33-26-14-8-7-13-25(26)32-28)23-15-17-24-22(19-23)16-18-27-30(24)34-31(35-27)21-11-5-2-6-12-21;1-3-9-20(10-4-1)28-25-13-7-8-14-26(25)32-30(33-28)23-15-17-24-22(19-23)16-18-27-29(24)34-31(35-27)21-11-5-2-6-12-21;2*1-2-7-18(8-3-1)29-30-27-21-15-13-20(17-19(21)14-16-26(27)32-29)22-10-6-11-24-23-9-4-5-12-25(23)31-28(22)24;1-2-7-18(8-3-1)26-28-25-21-13-10-20(16-19(21)12-15-24(25)29-26)23-14-11-17-6-4-5-9-22(17)27-23;1-2-7-18(8-3-1)26-28-25-22-12-10-20(16-19(22)11-13-23(25)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h1-21H;1-20H;2*1-19H;2*1-17H;2*1-16H.
What are the key properties of 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?
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 has a molecular weight of 3563.50 g/mol, XLogP of 66.50, 22 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157451274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).