6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))

C233H312BrN9S9Ti9 — CID 162286330

IUPAC6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))
SMILESCC1C(C)C(c2cc(Br)cc3c2[N-]CCC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]C(C(C)(C)C)CC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]CC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]CCC3)C2Sc3ccccc3C12.CC1CCc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.CC1Cc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.CCC1CCc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.Cc1cc2c(c(C3C(C)C(C)C4c5ccccc5SC43)c1)[N-]C(C)C2.Cc1cc2c(c(C3C(C)C(C)C4c5ccccc5SC43)c1)[N-]CCC2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/C26H32NS.C24H28NS.3C23H26NS.C22H23BrNS.2C22H24NS.C21H22NS.27CH3.9Ti/c1-15-16(2)23(25-22(15)18-10-6-7-12-20(18)28-25)19-11-8-9-17-13-14-21(26(3,4)5)27-24(17)19;1-4-17-13-12-16-8-7-10-19(23(16)25-17)22-15(3)14(2)21-18-9-5-6-11-20(18)26-24(21)22;1-12-9-16-11-13(2)24-22(16)18(10-12)21-15(4)14(3)20-17-7-5-6-8-19(17)25-23(20)21;1-13-11-12-16-7-6-9-18(22(16)24-13)21-15(3)14(2)20-17-8-4-5-10-19(17)25-23(20)21;1-13-11-16-7-6-10-24-22(16)18(12-13)21-15(3)14(2)20-17-8-4-5-9-19(17)25-23(20)21;1-12-13(2)20(22-19(12)16-7-3-4-8-18(16)25-22)17-11-15(23)10-14-6-5-9-24-21(14)17;1-12-11-15-7-6-9-17(21(15)23-12)20-14(3)13(2)19-16-8-4-5-10-18(16)24-22(19)20;1-13-14(2)20(17-10-5-7-15-8-6-12-23-21(15)17)22-19(13)16-9-3-4-11-18(16)24-22;1-12-13(2)19(16-8-5-6-14-10-11-22-20(14)16)21-18(12)15-7-3-4-9-17(15)23-21;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-12,15-16,21-23,25H,13-14H2,1-5H3;5-11,14-15,17,21-22,24H,4,12-13H2,1-3H3;5-10,13-15,20-21,23H,11H2,1-4H3;4-10,13-15,20-21,23H,11-12H2,1-3H3;4-5,8-9,11-12,14-15,20-21,23H,6-7,10H2,1-3H3;3-4,7-8,10-13,19-20,22H,5-6,9H2,1-2H3;4-10,12-14,19-20,22H,11H2,1-3H3;3-5,7,9-11,13-14,19-20,22H,6,8,12H2,1-2H3;3-9,12-13,18-19,21H,10-11H2,1-2H3;27*1H3;;;;;;;;;/q36*-1;9*+4
InChIKeyLKCFQUAHJUDFDI-UHFFFAOYSA-N
MW4038.43 g/mol
LogP72.09
Rot. Bonds10

About 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))

6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)) (PubChem CID 162286330) has the molecular formula C233H312BrN9S9Ti9 and a molecular weight of 4038.43 g/mol. Its IUPAC name is 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)).

Molecular Properties

Compound Name6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))
PubChem CID162286330
Molecular FormulaC233H312BrN9S9Ti9
Molecular Weight4038.43 g/mol
Exact Mass4034.67
IUPAC Name6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))
SMILESCC1C(C)C(c2cc(Br)cc3c2[N-]CCC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]C(C(C)(C)C)CC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]CC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]CCC3)C2Sc3ccccc3C12.CC1CCc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.CC1Cc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.CCC1CCc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.Cc1cc2c(c(C3C(C)C(C)C4c5ccccc5SC43)c1)[N-]C(C)C2.Cc1cc2c(c(C3C(C)C(C)C4c5ccccc5SC43)c1)[N-]CCC2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/C26H32NS.C24H28NS.3C23H26NS.C22H23BrNS.2C22H24NS.C21H22NS.27CH3.9Ti/c1-15-16(2)23(25-22(15)18-10-6-7-12-20(18)28-25)19-11-8-9-17-13-14-21(26(3,4)5)27-24(17)19;1-4-17-13-12-16-8-7-10-19(23(16)25-17)22-15(3)14(2)21-18-9-5-6-11-20(18)26-24(21)22;1-12-9-16-11-13(2)24-22(16)18(10-12)21-15(4)14(3)20-17-7-5-6-8-19(17)25-23(20)21;1-13-11-12-16-7-6-9-18(22(16)24-13)21-15(3)14(2)20-17-8-4-5-10-19(17)25-23(20)21;1-13-11-16-7-6-10-24-22(16)18(12-13)21-15(3)14(2)20-17-8-4-5-9-19(17)25-23(20)21;1-12-13(2)20(22-19(12)16-7-3-4-8-18(16)25-22)17-11-15(23)10-14-6-5-9-24-21(14)17;1-12-11-15-7-6-9-17(21(15)23-12)20-14(3)13(2)19-16-8-4-5-10-18(16)24-22(19)20;1-13-14(2)20(17-10-5-7-15-8-6-12-23-21(15)17)22-19(13)16-9-3-4-11-18(16)24-22;1-12-13(2)19(16-8-5-6-14-10-11-22-20(14)16)21-18(12)15-7-3-4-9-17(15)23-21;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-12,15-16,21-23,25H,13-14H2,1-5H3;5-11,14-15,17,21-22,24H,4,12-13H2,1-3H3;5-10,13-15,20-21,23H,11H2,1-4H3;4-10,13-15,20-21,23H,11-12H2,1-3H3;4-5,8-9,11-12,14-15,20-21,23H,6-7,10H2,1-3H3;3-4,7-8,10-13,19-20,22H,5-6,9H2,1-2H3;4-10,12-14,19-20,22H,11H2,1-3H3;3-5,7,9-11,13-14,19-20,22H,6,8,12H2,1-2H3;3-9,12-13,18-19,21H,10-11H2,1-2H3;27*1H3;;;;;;;;;/q36*-1;9*+4
InChIKeyLKCFQUAHJUDFDI-UHFFFAOYSA-N
XLogP72.09
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms261
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004038.43
LogP ≤ 572.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))?
The IUPAC name of 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)) (CID 162286330) is 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)).
What is the SMILES notation for 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))?
The canonical SMILES for 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)) is CC1C(C)C(c2cc(Br)cc3c2[N-]CCC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]C(C(C)(C)C)CC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]CC3)C2Sc3ccccc3C12.CC1C(C)C(c2cccc3c2[N-]CCC3)C2Sc3ccccc3C12.CC1CCc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.CC1Cc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.CCC1CCc2cccc(C3C(C)C(C)C4c5ccccc5SC43)c2[N-]1.Cc1cc2c(c(C3C(C)C(C)C4c5ccccc5SC43)c1)[N-]C(C)C2.Cc1cc2c(c(C3C(C)C(C)C4c5ccccc5SC43)c1)[N-]CCC2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].
What is the InChIKey of 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))?
The InChIKey is LKCFQUAHJUDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32NS.C24H28NS.3C23H26NS.C22H23BrNS.2C22H24NS.C21H22NS.27CH3.9Ti/c1-15-16(2)23(25-22(15)18-10-6-7-12-20(18)28-25)19-11-8-9-17-13-14-21(26(3,4)5)27-24(17)19;1-4-17-13-12-16-8-7-10-19(23(16)25-17)22-15(3)14(2)21-18-9-5-6-11-20(18)26-24(21)22;1-12-9-16-11-13(2)24-22(16)18(10-12)21-15(4)14(3)20-17-7-5-6-8-19(17)25-23(20)21;1-13-11-12-16-7-6-9-18(22(16)24-13)21-15(3)14(2)20-17-8-4-5-10-19(17)25-23(20)21;1-13-11-16-7-6-10-24-22(16)18(12-13)21-15(3)14(2)20-17-8-4-5-9-19(17)25-23(20)21;1-12-13(2)20(22-19(12)16-7-3-4-8-18(16)25-22)17-11-15(23)10-14-6-5-9-24-21(14)17;1-12-11-15-7-6-9-17(21(15)23-12)20-14(3)13(2)19-16-8-4-5-10-18(16)24-22(19)20;1-13-14(2)20(17-10-5-7-15-8-6-12-23-21(15)17)22-19(13)16-9-3-4-11-18(16)24-22;1-12-13(2)19(16-8-5-6-14-10-11-22-20(14)16)21-18(12)15-7-3-4-9-17(15)23-21;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-12,15-16,21-23,25H,13-14H2,1-5H3;5-11,14-15,17,21-22,24H,4,12-13H2,1-3H3;5-10,13-15,20-21,23H,11H2,1-4H3;4-10,13-15,20-21,23H,11-12H2,1-3H3;4-5,8-9,11-12,14-15,20-21,23H,6-7,10H2,1-3H3;3-4,7-8,10-13,19-20,22H,5-6,9H2,1-2H3;4-10,12-14,19-20,22H,11H2,1-3H3;3-5,7,9-11,13-14,19-20,22H,6,8,12H2,1-2H3;3-9,12-13,18-19,21H,10-11H2,1-2H3;27*1H3;;;;;;;;;/q36*-1;9*+4.
What are the key properties of 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))?
6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)) has a molecular weight of 4038.43 g/mol, XLogP of 72.09, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+)) is sourced from PubChem (CID 162286330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).