5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole

C228H160N28S6 — CID 158971778

IUPAC5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESCCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccc(C)nc3C)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3cccnc3)ccc2s1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3sc(-c4ccccc4)nc3c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C41H29N5S.C40H26N4S.C39H25N5S.C37H29N5S.C36H26N4S.C35H25N5S/c1-26-18-21-33(27(2)42-26)35-24-32(40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29)19-22-34(35)31-20-23-37-36(25-31)43-41(47-37)30-16-10-5-11-17-30;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-36-35(26-31)41-40(45-36)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-35-34(24-29)41-39(45-35)28-15-8-3-9-16-28;1-4-34-39-32-22-27(17-20-33(32)43-34)30-19-16-28(21-31(30)29-18-15-23(2)38-24(29)3)37-41-35(25-11-7-5-8-12-25)40-36(42-37)26-13-9-6-10-14-26;1-2-33-37-31-23-27(19-21-32(31)41-33)29-20-18-28(22-30(29)24-12-6-3-7-13-24)36-39-34(25-14-8-4-9-15-25)38-35(40-36)26-16-10-5-11-17-26;1-2-32-37-30-21-25(16-18-31(30)41-32)28-17-15-26(20-29(28)27-14-9-19-36-22-27)35-39-33(23-10-5-3-6-11-23)38-34(40-35)24-12-7-4-8-13-24/h3-25H,1-2H3;1-26H;1-25H;5-22H,4H2,1-3H3;3-23H,2H2,1H3;3-22H,2H2,1H3
InChIKeyJNXIQQMWSTTYKA-UHFFFAOYSA-N
MW3484.39 g/mol
LogP58.40
Rot. Bonds36

About 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole

5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole (PubChem CID 158971778) has the molecular formula C228H160N28S6 and a molecular weight of 3484.39 g/mol. Its IUPAC name is 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
PubChem CID158971778
Molecular FormulaC228H160N28S6
Molecular Weight3484.39 g/mol
Exact Mass3481.17
IUPAC Name5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESCCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccc(C)nc3C)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3cccnc3)ccc2s1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3sc(-c4ccccc4)nc3c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C41H29N5S.C40H26N4S.C39H25N5S.C37H29N5S.C36H26N4S.C35H25N5S/c1-26-18-21-33(27(2)42-26)35-24-32(40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29)19-22-34(35)31-20-23-37-36(25-31)43-41(47-37)30-16-10-5-11-17-30;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-36-35(26-31)41-40(45-36)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-35-34(24-29)41-39(45-35)28-15-8-3-9-16-28;1-4-34-39-32-22-27(17-20-33(32)43-34)30-19-16-28(21-31(30)29-18-15-23(2)38-24(29)3)37-41-35(25-11-7-5-8-12-25)40-36(42-37)26-13-9-6-10-14-26;1-2-33-37-31-23-27(19-21-32(31)41-33)29-20-18-28(22-30(29)24-12-6-3-7-13-24)36-39-34(25-14-8-4-9-15-25)38-35(40-36)26-16-10-5-11-17-26;1-2-32-37-30-21-25(16-18-31(30)41-32)28-17-15-26(20-29(28)27-14-9-19-36-22-27)35-39-33(23-10-5-3-6-11-23)38-34(40-35)24-12-7-4-8-13-24/h3-25H,1-2H3;1-26H;1-25H;5-22H,4H2,1-3H3;3-23H,2H2,1H3;3-22H,2H2,1H3
InChIKeyJNXIQQMWSTTYKA-UHFFFAOYSA-N
XLogP58.40
TPSA360.92 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003484.39
LogP ≤ 558.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole with MolForge

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Related Compounds

tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);bis(5-tert-butyl-3H-pyrrole);4-tert-butyl-1,3-thiazole;ethane;methane;1,1,1-trifluoroethane
CID 158342077
2-[3-[9,9-Dimethyl-7-[3-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine;6-[9,9-dimethyl-7-(2-phenyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)fluoren-2-yl]-2-phenyl-[1,3]thiazolo[4,5-b]pyridine;5-methyl-2-[3-[7-[3-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]thiazolo[4,5-b]pyridine;5-methyl-2-[6-[3-[6-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 159455644
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 160178868
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-methyl-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-methyl-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 160275332
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
CID 160970041
2-[3-Benzo[h]isoquinolin-5-yl-5-[3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-pyridin-3-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzothiazole
CID 161244750
2-[6-[3-[4-Fluoro-5-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-5-yl]-3-pyridinyl]pyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole
CID 166882889
5-[4-Fluoro-5-[1-[5-(5-pyridin-3-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]-3-pyridinyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole
CID 167073591
dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)
CID 139160284
2-[4-[2,3,4,5,6-Pentakis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-c]pyridine
CID 20606861
2-[3-([1,3]Thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391304
2-[4-[2,3,4,5,6-Pentakis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391317

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole (CID 158971778) is 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole is CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccc(C)nc3C)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3)ccc2s1.CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3cccnc3)ccc2s1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3sc(-c4ccccc4)nc3c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc(-c6ccccc6)nc5c4)c(-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
The InChIKey is JNXIQQMWSTTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5S.C40H26N4S.C39H25N5S.C37H29N5S.C36H26N4S.C35H25N5S/c1-26-18-21-33(27(2)42-26)35-24-32(40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29)19-22-34(35)31-20-23-37-36(25-31)43-41(47-37)30-16-10-5-11-17-30;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-36-35(26-31)41-40(45-36)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-35-34(24-29)41-39(45-35)28-15-8-3-9-16-28;1-4-34-39-32-22-27(17-20-33(32)43-34)30-19-16-28(21-31(30)29-18-15-23(2)38-24(29)3)37-41-35(25-11-7-5-8-12-25)40-36(42-37)26-13-9-6-10-14-26;1-2-33-37-31-23-27(19-21-32(31)41-33)29-20-18-28(22-30(29)24-12-6-3-7-13-24)36-39-34(25-14-8-4-9-15-25)38-35(40-36)26-16-10-5-11-17-26;1-2-32-37-30-21-25(16-18-31(30)41-32)28-17-15-26(20-29(28)27-14-9-19-36-22-27)35-39-33(23-10-5-3-6-11-23)38-34(40-35)24-12-7-4-8-13-24/h3-25H,1-2H3;1-26H;1-25H;5-22H,4H2,1-3H3;3-23H,2H2,1H3;3-22H,2H2,1H3.
What are the key properties of 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole has a molecular weight of 3484.39 g/mol, XLogP of 58.40, 36 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzothiazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-ethyl-1,3-benzothiazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 158971778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).