(2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole

C150H120F6N18S8 — CID 157292586

IUPAC(2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccc2c(N3/C(=C4\Sc5cc(F)ccc5N4c4nccc5cc(C(C)(C)C)ccc45)Sc4cc(F)ccc43)nccc2c1.Cc1cc2c(cc1C)N(c1cc3cc(C(C)C)ccc3cn1)/C(=C1\Sc3cc(C)c(C)cc3N1c1cc3cc(C(C)C)ccc3cn1)S2.Cc1ccc2cccc(N3/C(=C4\Sc5cc(C)c(C)cc5N4c4cccc5ccc(C)nc45)Sc4cc(C)c(C)cc43)c2n1.Fc1cc2c(cc1F)N(c1ccc3cccnc3n1)/C(=C1\Sc3cc(F)c(F)cc3N1c1ccc3cccnc3n1)S2
InChIInChI=1S/C42H40N4S2.C40H34F2N4S2.C38H32N4S2.C30H14F4N6S2/c1-23(2)29-9-11-31-21-43-39(19-33(31)17-29)45-35-13-25(5)27(7)15-37(35)47-41(45)42-46(36-14-26(6)28(8)16-38(36)48-42)40-20-34-18-30(24(3)4)10-12-32(34)22-44-40;1-39(2,3)25-7-11-29-23(19-25)15-17-43-35(29)45-31-13-9-27(41)21-33(31)47-37(45)38-46(32-14-10-28(42)22-34(32)48-38)36-30-12-8-26(40(4,5)6)20-24(30)16-18-44-36;1-21-17-31-33(19-23(21)3)43-37(41(31)29-11-7-9-27-15-13-25(5)39-35(27)29)38-42(32-18-22(2)24(4)20-34(32)44-38)30-12-8-10-28-16-14-26(6)40-36(28)30;31-17-11-21-23(13-19(17)33)41-29(39(21)25-7-5-15-3-1-9-35-27(15)37-25)30-40(22-12-18(32)20(34)14-24(22)42-30)26-8-6-16-4-2-10-36-28(16)38-26/h9-24H,1-8H3;7-22H,1-6H3;7-20H,1-6H3;1-14H/b42-41+;2*38-37+;30-29+
InChIKeyBAZBKUFIYFMAIV-FPWBYLNWSA-N
MW2545.26 g/mol
LogP43.94
Rot. Bonds10

About (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole

(2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole (PubChem CID 157292586) has the molecular formula C150H120F6N18S8 and a molecular weight of 2545.26 g/mol. Its IUPAC name is (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name(2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole
PubChem CID157292586
Molecular FormulaC150H120F6N18S8
Molecular Weight2545.26 g/mol
Exact Mass2542.76
IUPAC Name(2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccc2c(N3/C(=C4\Sc5cc(F)ccc5N4c4nccc5cc(C(C)(C)C)ccc45)Sc4cc(F)ccc43)nccc2c1.Cc1cc2c(cc1C)N(c1cc3cc(C(C)C)ccc3cn1)/C(=C1\Sc3cc(C)c(C)cc3N1c1cc3cc(C(C)C)ccc3cn1)S2.Cc1ccc2cccc(N3/C(=C4\Sc5cc(C)c(C)cc5N4c4cccc5ccc(C)nc45)Sc4cc(C)c(C)cc43)c2n1.Fc1cc2c(cc1F)N(c1ccc3cccnc3n1)/C(=C1\Sc3cc(F)c(F)cc3N1c1ccc3cccnc3n1)S2
InChIInChI=1S/C42H40N4S2.C40H34F2N4S2.C38H32N4S2.C30H14F4N6S2/c1-23(2)29-9-11-31-21-43-39(19-33(31)17-29)45-35-13-25(5)27(7)15-37(35)47-41(45)42-46(36-14-26(6)28(8)16-38(36)48-42)40-20-34-18-30(24(3)4)10-12-32(34)22-44-40;1-39(2,3)25-7-11-29-23(19-25)15-17-43-35(29)45-31-13-9-27(41)21-33(31)47-37(45)38-46(32-14-10-28(42)22-34(32)48-38)36-30-12-8-26(40(4,5)6)20-24(30)16-18-44-36;1-21-17-31-33(19-23(21)3)43-37(41(31)29-11-7-9-27-15-13-25(5)39-35(27)29)38-42(32-18-22(2)24(4)20-34(32)44-38)30-12-8-10-28-16-14-26(6)40-36(28)30;31-17-11-21-23(13-19(17)33)41-29(39(21)25-7-5-15-3-1-9-35-27(15)37-25)30-40(22-12-18(32)20(34)14-24(22)42-30)26-8-6-16-4-2-10-36-28(16)38-26/h9-24H,1-8H3;7-22H,1-6H3;7-20H,1-6H3;1-14H/b42-41+;2*38-37+;30-29+
InChIKeyBAZBKUFIYFMAIV-FPWBYLNWSA-N
XLogP43.94
TPSA154.82 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.26
LogP ≤ 543.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole with MolForge

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Related Compounds

5-Ethylsulfanyl-6-[3-[3-[7-[3-[3-[7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinolin-8-yl]sulfanylpropyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinolin-8-yl]sulfanylpropyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline
CID 135277921
CID 157083796
CID 157083796
9-[4-[2-[3,6-Bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(3,5-dimethylphenyl)carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
CID 157194442
9-[4-(2,6-Difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane
CID 157194823
CID 157544448
CID 157544448
CID 157595394
CID 157595394
CID 157598985
CID 157598985
6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 158112530
6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158363781
CID 158464191
CID 158464191
CID 158475468
CID 158475468
2-[3,5-Bis[1-(4-tert-butylphenyl)benzimidazol-2-yl]phenyl]-1-(4-tert-butylphenyl)benzimidazole;2-[3,5-bis[3-(3-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(3-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 158818180

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole?
The IUPAC name of (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole (CID 157292586) is (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole?
The canonical SMILES for (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole is CC(C)(C)c1ccc2c(N3/C(=C4\Sc5cc(F)ccc5N4c4nccc5cc(C(C)(C)C)ccc45)Sc4cc(F)ccc43)nccc2c1.Cc1cc2c(cc1C)N(c1cc3cc(C(C)C)ccc3cn1)/C(=C1\Sc3cc(C)c(C)cc3N1c1cc3cc(C(C)C)ccc3cn1)S2.Cc1ccc2cccc(N3/C(=C4\Sc5cc(C)c(C)cc5N4c4cccc5ccc(C)nc45)Sc4cc(C)c(C)cc43)c2n1.Fc1cc2c(cc1F)N(c1ccc3cccnc3n1)/C(=C1\Sc3cc(F)c(F)cc3N1c1ccc3cccnc3n1)S2.
What is the InChIKey of (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole?
The InChIKey is BAZBKUFIYFMAIV-FPWBYLNWSA-N. The full InChI is InChI=1S/C42H40N4S2.C40H34F2N4S2.C38H32N4S2.C30H14F4N6S2/c1-23(2)29-9-11-31-21-43-39(19-33(31)17-29)45-35-13-25(5)27(7)15-37(35)47-41(45)42-46(36-14-26(6)28(8)16-38(36)48-42)40-20-34-18-30(24(3)4)10-12-32(34)22-44-40;1-39(2,3)25-7-11-29-23(19-25)15-17-43-35(29)45-31-13-9-27(41)21-33(31)47-37(45)38-46(32-14-10-28(42)22-34(32)48-38)36-30-12-8-26(40(4,5)6)20-24(30)16-18-44-36;1-21-17-31-33(19-23(21)3)43-37(41(31)29-11-7-9-27-15-13-25(5)39-35(27)29)38-42(32-18-22(2)24(4)20-34(32)44-38)30-12-8-10-28-16-14-26(6)40-36(28)30;31-17-11-21-23(13-19(17)33)41-29(39(21)25-7-5-15-3-1-9-35-27(15)37-25)30-40(22-12-18(32)20(34)14-24(22)42-30)26-8-6-16-4-2-10-36-28(16)38-26/h9-24H,1-8H3;7-22H,1-6H3;7-20H,1-6H3;1-14H/b42-41+;2*38-37+;30-29+.
What are the key properties of (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole?
(2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole has a molecular weight of 2545.26 g/mol, XLogP of 43.94, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(6-tert-butylisoquinolin-1-yl)-2-[3-(6-tert-butylisoquinolin-1-yl)-6-fluoro-1,3-benzothiazol-2-ylidene]-6-fluoro-1,3-benzothiazole;(2E)-2-[5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazol-2-ylidene]-5,6-difluoro-3-(1,8-naphthyridin-2-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(2-methylquinolin-8-yl)-1,3-benzothiazole;(2E)-2-[5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazol-2-ylidene]-5,6-dimethyl-3-(6-propan-2-ylisoquinolin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 157292586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).