11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline

C237H182N18OS5 — CID 158481472

IUPAC11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline
SMILESCC1(C)c2cccc3c4ccccc4n(c23)-c2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1ccccc21.CC1(C)c2ccccc2N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1sc1ccccc21.CC1(C)c2cn(-c3ccccc3)nc2-n2c3ccccc3c3cccc1c32.CC1(C)c2occc2-n2c3ccccc3c3cccc1c32.CC1(C)c2sc3ccccc3c2-n2c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3c3cccc1c32.CC1(C)c2sc3ccccc3c2-n2c3ccccc3c3cccc1c32.CC1(C)c2sccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C39H27N3S.C32H24N4S.C29H22N2.C29H24N2.C24H19N3.C23H17NS.C23H19NS.C19H15NO.C19H15NS/c1-39(2)30-18-11-17-27-29-22-26(20-21-33(29)42(35(27)30)36-28-16-9-10-19-34(28)43-37(36)39)38-40-31(24-12-5-3-6-13-24)23-32(41-38)25-14-7-4-8-15-25;1-32(2)24-18-10-11-19-25(24)36(27-23-17-9-12-20-26(23)37-28(27)32)31-34-29(21-13-5-3-6-14-21)33-30(35-31)22-15-7-4-8-16-22;1-29(2)23-16-10-15-21-20-13-6-8-17-24(20)31(26(21)23)27-22-14-7-9-18-25(22)30(28(27)29)19-11-4-3-5-12-19;1-29(2)24-18-10-12-20-26(24)30(21-13-5-3-6-14-21)27-23-17-9-11-19-25(23)31(28(27)29)22-15-7-4-8-16-22;1-24(2)19-13-8-12-18-17-11-6-7-14-21(17)27(22(18)19)23-20(24)15-26(25-23)16-9-4-3-5-10-16;1-23(2)17-11-7-10-15-14-8-3-5-12-18(14)24(20(15)17)21-16-9-4-6-13-19(16)25-22(21)23;1-23(2)18-13-7-8-14-19(18)24(16-10-4-3-5-11-16)21-17-12-6-9-15-20(17)25-22(21)23;2*1-19(2)14-8-5-7-13-12-6-3-4-9-15(12)20(17(13)14)16-10-11-21-18(16)19/h3-23H,1-2H3;3-20H,1-2H3;3-18H,1-2H3;3-20H,1-2H3;3-15H,1-2H3;3-13H,1-2H3;3-15H,1-2H3;2*3-11H,1-2H3
InChIKeyHHOKVUSQOHEPAB-UHFFFAOYSA-N
MW3458.52 g/mol
LogP63.82
Rot. Bonds11

About 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline

11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline (PubChem CID 158481472) has the molecular formula C237H182N18OS5 and a molecular weight of 3458.52 g/mol. Its IUPAC name is 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline.

Molecular Properties

Compound Name11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline
PubChem CID158481472
Molecular FormulaC237H182N18OS5
Molecular Weight3458.52 g/mol
Exact Mass3455.33
IUPAC Name11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline
SMILESCC1(C)c2cccc3c4ccccc4n(c23)-c2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1ccccc21.CC1(C)c2ccccc2N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1sc1ccccc21.CC1(C)c2cn(-c3ccccc3)nc2-n2c3ccccc3c3cccc1c32.CC1(C)c2occc2-n2c3ccccc3c3cccc1c32.CC1(C)c2sc3ccccc3c2-n2c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3c3cccc1c32.CC1(C)c2sc3ccccc3c2-n2c3ccccc3c3cccc1c32.CC1(C)c2sccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C39H27N3S.C32H24N4S.C29H22N2.C29H24N2.C24H19N3.C23H17NS.C23H19NS.C19H15NO.C19H15NS/c1-39(2)30-18-11-17-27-29-22-26(20-21-33(29)42(35(27)30)36-28-16-9-10-19-34(28)43-37(36)39)38-40-31(24-12-5-3-6-13-24)23-32(41-38)25-14-7-4-8-15-25;1-32(2)24-18-10-11-19-25(24)36(27-23-17-9-12-20-26(23)37-28(27)32)31-34-29(21-13-5-3-6-14-21)33-30(35-31)22-15-7-4-8-16-22;1-29(2)23-16-10-15-21-20-13-6-8-17-24(20)31(26(21)23)27-22-14-7-9-18-25(22)30(28(27)29)19-11-4-3-5-12-19;1-29(2)24-18-10-12-20-26(24)30(21-13-5-3-6-14-21)27-23-17-9-11-19-25(23)31(28(27)29)22-15-7-4-8-16-22;1-24(2)19-13-8-12-18-17-11-6-7-14-21(17)27(22(18)19)23-20(24)15-26(25-23)16-9-4-3-5-10-16;1-23(2)17-11-7-10-15-14-8-3-5-12-18(14)24(20(15)17)21-16-9-4-6-13-19(16)25-22(21)23;1-23(2)18-13-7-8-14-19(18)24(16-10-4-3-5-11-16)21-17-12-6-9-15-20(17)25-22(21)23;2*1-19(2)14-8-5-7-13-12-6-3-4-9-15(12)20(17(13)14)16-10-11-21-18(16)19/h3-23H,1-2H3;3-20H,1-2H3;3-18H,1-2H3;3-20H,1-2H3;3-15H,1-2H3;3-13H,1-2H3;3-15H,1-2H3;2*3-11H,1-2H3
InChIKeyHHOKVUSQOHEPAB-UHFFFAOYSA-N
XLogP63.82
TPSA144.57 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003458.52
LogP ≤ 563.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline?
The IUPAC name of 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline (CID 158481472) is 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline.
What is the SMILES notation for 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline?
The canonical SMILES for 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline is CC1(C)c2cccc3c4ccccc4n(c23)-c2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1ccccc21.CC1(C)c2ccccc2N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1sc1ccccc21.CC1(C)c2cn(-c3ccccc3)nc2-n2c3ccccc3c3cccc1c32.CC1(C)c2occc2-n2c3ccccc3c3cccc1c32.CC1(C)c2sc3ccccc3c2-n2c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3c3cccc1c32.CC1(C)c2sc3ccccc3c2-n2c3ccccc3c3cccc1c32.CC1(C)c2sccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline?
The InChIKey is HHOKVUSQOHEPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3S.C32H24N4S.C29H22N2.C29H24N2.C24H19N3.C23H17NS.C23H19NS.C19H15NO.C19H15NS/c1-39(2)30-18-11-17-27-29-22-26(20-21-33(29)42(35(27)30)36-28-16-9-10-19-34(28)43-37(36)39)38-40-31(24-12-5-3-6-13-24)23-32(41-38)25-14-7-4-8-15-25;1-32(2)24-18-10-11-19-25(24)36(27-23-17-9-12-20-26(23)37-28(27)32)31-34-29(21-13-5-3-6-14-21)33-30(35-31)22-15-7-4-8-16-22;1-29(2)23-16-10-15-21-20-13-6-8-17-24(20)31(26(21)23)27-22-14-7-9-18-25(22)30(28(27)29)19-11-4-3-5-12-19;1-29(2)24-18-10-12-20-26(24)30(21-13-5-3-6-14-21)27-23-17-9-11-19-25(23)31(28(27)29)22-15-7-4-8-16-22;1-24(2)19-13-8-12-18-17-11-6-7-14-21(17)27(22(18)19)23-20(24)15-26(25-23)16-9-4-3-5-10-16;1-23(2)17-11-7-10-15-14-8-3-5-12-18(14)24(20(15)17)21-16-9-4-6-13-19(16)25-22(21)23;1-23(2)18-13-7-8-14-19(18)24(16-10-4-3-5-11-16)21-17-12-6-9-15-20(17)25-22(21)23;2*1-19(2)14-8-5-7-13-12-6-3-4-9-15(12)20(17(13)14)16-10-11-21-18(16)19/h3-23H,1-2H3;3-20H,1-2H3;3-18H,1-2H3;3-20H,1-2H3;3-15H,1-2H3;3-13H,1-2H3;3-15H,1-2H3;2*3-11H,1-2H3.
What are the key properties of 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline?
11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline has a molecular weight of 3458.52 g/mol, XLogP of 63.82, 11 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5,10-diphenylindolo[3,2-b]quinoline;7,7-dimethyl-5-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;11,11-dimethyl-5-phenyl-[1]benzothiolo[3,2-b]quinoline;11,11-dimethyl-9-phenyl-1,9-diazahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-4-phenyl-1,3,4-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13,15,17-octaene;11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17,19,21-decaene;7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13,15,17-octaene;19-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-thia-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-[1]benzothiolo[3,2-b]quinoline is sourced from PubChem (CID 158481472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).