6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline

C268H281F3N12O3S7 — CID 161324597

IUPAC6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
SMILESCC(C)(C)Cc1coc2c1ccc1c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.CC(C)(C)Cc1csc2c1ccc1ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c12.CC(C)(C)Cc1nc2c(ccc3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c32)s1.CC(C)(C)c1cc(-c2nccc3c2ccc2c(CCC(F)(F)F)csc23)cc2ccccc12.Cc1cc(-c2nccc3c2cc(C)c2c(CC(C)(C)C)csc23)cc(C(C)(C)C)c1.Cc1cc(-c2nccc3c2ccc2c(CC(C)(C)C)csc23)cc(C(C)(C)C)c1.Cc1cc(C)cc(-c2nccc3c2ccc2c(CC(C)(C)C)c(C)oc23)c1.Cc1cc(C)cc(-c2nccc3c2ccc2c(CC(C)(C)C)coc23)c1.Cc1cc(C)cc(-c2nccc3ccc4c(CC(C)(C)C)csc4c23)c1.Cc1cc(C)cc(-c2nccc3ccc4sc(CC(C)(C)C)nc4c23)c1
InChIInChI=1S/C30H31NO.C30H31NS.C29H30N2S.C28H24F3NS.C28H33NS.C27H31NS.C25H27NO.C24H25NO.C24H25NS.C23H24N2S/c1-29(2,3)17-21-18-32-28-23(21)11-12-24-25(28)13-14-31-27(24)20-15-19-9-7-8-10-22(19)26(16-20)30(4,5)6;1-29(2,3)17-22-18-32-28-24(22)12-11-19-13-14-31-27(26(19)28)21-15-20-9-7-8-10-23(20)25(16-21)30(4,5)6;1-28(2,3)17-24-31-27-23(32-24)12-11-18-13-14-30-26(25(18)27)20-15-19-9-7-8-10-21(19)22(16-20)29(4,5)6;1-27(2,3)24-15-19(14-17-6-4-5-7-20(17)24)25-22-9-8-21-18(10-12-28(29,30)31)16-33-26(21)23(22)11-13-32-25;1-17-11-19(14-21(12-17)28(6,7)8)25-23-13-18(2)24-20(15-27(3,4)5)16-30-26(24)22(23)9-10-29-25;1-17-12-18(14-20(13-17)27(5,6)7)24-22-9-8-21-19(15-26(2,3)4)16-29-25(21)23(22)10-11-28-24;1-15-11-16(2)13-18(12-15)23-19-7-8-20-22(14-25(4,5)6)17(3)27-24(20)21(19)9-10-26-23;1-15-10-16(2)12-17(11-15)22-20-7-6-19-18(13-24(3,4)5)14-26-23(19)21(20)8-9-25-22;1-15-10-16(2)12-18(11-15)22-21-17(8-9-25-22)6-7-20-19(13-24(3,4)5)14-26-23(20)21;1-14-10-15(2)12-17(11-14)21-20-16(8-9-24-21)6-7-18-22(20)25-19(26-18)13-23(3,4)5/h2*7-16,18H,17H2,1-6H3;7-16H,17H2,1-6H3;4-9,11,13-16H,10,12H2,1-3H3;9-14,16H,15H2,1-8H3;8-14,16H,15H2,1-7H3;7-13H,14H2,1-6H3;2*6-12,14H,13H2,1-5H3;6-12H,13H2,1-5H3
InChIKeyVKPGPYXUDASRKB-UHFFFAOYSA-N
MW3999.74 g/mol
LogP80.44
Rot. Bonds21

About 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline

6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline (PubChem CID 161324597) has the molecular formula C268H281F3N12O3S7 and a molecular weight of 3999.74 g/mol. Its IUPAC name is 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline.

Molecular Properties

Compound Name6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
PubChem CID161324597
Molecular FormulaC268H281F3N12O3S7
Molecular Weight3999.74 g/mol
Exact Mass3996.02
IUPAC Name6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
SMILESCC(C)(C)Cc1coc2c1ccc1c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.CC(C)(C)Cc1csc2c1ccc1ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c12.CC(C)(C)Cc1nc2c(ccc3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c32)s1.CC(C)(C)c1cc(-c2nccc3c2ccc2c(CCC(F)(F)F)csc23)cc2ccccc12.Cc1cc(-c2nccc3c2cc(C)c2c(CC(C)(C)C)csc23)cc(C(C)(C)C)c1.Cc1cc(-c2nccc3c2ccc2c(CC(C)(C)C)csc23)cc(C(C)(C)C)c1.Cc1cc(C)cc(-c2nccc3c2ccc2c(CC(C)(C)C)c(C)oc23)c1.Cc1cc(C)cc(-c2nccc3c2ccc2c(CC(C)(C)C)coc23)c1.Cc1cc(C)cc(-c2nccc3ccc4c(CC(C)(C)C)csc4c23)c1.Cc1cc(C)cc(-c2nccc3ccc4sc(CC(C)(C)C)nc4c23)c1
InChIInChI=1S/C30H31NO.C30H31NS.C29H30N2S.C28H24F3NS.C28H33NS.C27H31NS.C25H27NO.C24H25NO.C24H25NS.C23H24N2S/c1-29(2,3)17-21-18-32-28-23(21)11-12-24-25(28)13-14-31-27(24)20-15-19-9-7-8-10-22(19)26(16-20)30(4,5)6;1-29(2,3)17-22-18-32-28-24(22)12-11-19-13-14-31-27(26(19)28)21-15-20-9-7-8-10-23(20)25(16-21)30(4,5)6;1-28(2,3)17-24-31-27-23(32-24)12-11-18-13-14-30-26(25(18)27)20-15-19-9-7-8-10-21(19)22(16-20)29(4,5)6;1-27(2,3)24-15-19(14-17-6-4-5-7-20(17)24)25-22-9-8-21-18(10-12-28(29,30)31)16-33-26(21)23(22)11-13-32-25;1-17-11-19(14-21(12-17)28(6,7)8)25-23-13-18(2)24-20(15-27(3,4)5)16-30-26(24)22(23)9-10-29-25;1-17-12-18(14-20(13-17)27(5,6)7)24-22-9-8-21-19(15-26(2,3)4)16-29-25(21)23(22)10-11-28-24;1-15-11-16(2)13-18(12-15)23-19-7-8-20-22(14-25(4,5)6)17(3)27-24(20)21(19)9-10-26-23;1-15-10-16(2)12-17(11-15)22-20-7-6-19-18(13-24(3,4)5)14-26-23(19)21(20)8-9-25-22;1-15-10-16(2)12-18(11-15)22-21-17(8-9-25-22)6-7-20-19(13-24(3,4)5)14-26-23(20)21;1-14-10-15(2)12-17(11-14)21-20-16(8-9-24-21)6-7-18-22(20)25-19(26-18)13-23(3,4)5/h2*7-16,18H,17H2,1-6H3;7-16H,17H2,1-6H3;4-9,11,13-16H,10,12H2,1-3H3;9-14,16H,15H2,1-8H3;8-14,16H,15H2,1-7H3;7-13H,14H2,1-6H3;2*6-12,14H,13H2,1-5H3;6-12H,13H2,1-5H3
InChIKeyVKPGPYXUDASRKB-UHFFFAOYSA-N
XLogP80.44
TPSA194.10 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003999.74
LogP ≤ 580.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline with MolForge

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Related Compounds

CID 157225149
CID 157225149
CID 159961606
CID 159961606
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;[6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinolin-4-yl]-trimethylsilane;9-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1,3]thiazolo[5,4-h]isoquinoline;tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;tetrakis(iridium)
CID 160231751
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;tetrakis(iridium)
CID 160273940
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-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;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one
CID 161020065
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927
5-[6-[3-([1]Benzothiolo[3,2-b]pyridin-6-yl)-5-(10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-12-yl)phenyl]-[1]benzothiolo[3,2-b]pyridin-3-yl]-12-[3-[7-[12-(4-carbazol-9-ylphenyl)-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaen-6-yl]dibenzofuran-2-yl]-5-dibenzofuran-2-ylphenyl]-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 147375257
CID 157049770
CID 157049770
2,8-Bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 157057393
CID 157157302
CID 157157302

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline?
The IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline (CID 161324597) is 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline.
What is the SMILES notation for 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline?
The canonical SMILES for 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline is CC(C)(C)Cc1coc2c1ccc1c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.CC(C)(C)Cc1csc2c1ccc1ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c12.CC(C)(C)Cc1nc2c(ccc3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c32)s1.CC(C)(C)c1cc(-c2nccc3c2ccc2c(CCC(F)(F)F)csc23)cc2ccccc12.Cc1cc(-c2nccc3c2cc(C)c2c(CC(C)(C)C)csc23)cc(C(C)(C)C)c1.Cc1cc(-c2nccc3c2ccc2c(CC(C)(C)C)csc23)cc(C(C)(C)C)c1.Cc1cc(C)cc(-c2nccc3c2ccc2c(CC(C)(C)C)c(C)oc23)c1.Cc1cc(C)cc(-c2nccc3c2ccc2c(CC(C)(C)C)coc23)c1.Cc1cc(C)cc(-c2nccc3ccc4c(CC(C)(C)C)csc4c23)c1.Cc1cc(C)cc(-c2nccc3ccc4sc(CC(C)(C)C)nc4c23)c1.
What is the InChIKey of 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline?
The InChIKey is VKPGPYXUDASRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO.C30H31NS.C29H30N2S.C28H24F3NS.C28H33NS.C27H31NS.C25H27NO.C24H25NO.C24H25NS.C23H24N2S/c1-29(2,3)17-21-18-32-28-23(21)11-12-24-25(28)13-14-31-27(24)20-15-19-9-7-8-10-22(19)26(16-20)30(4,5)6;1-29(2,3)17-22-18-32-28-24(22)12-11-19-13-14-31-27(26(19)28)21-15-20-9-7-8-10-23(20)25(16-21)30(4,5)6;1-28(2,3)17-24-31-27-23(32-24)12-11-18-13-14-30-26(25(18)27)20-15-19-9-7-8-10-21(19)22(16-20)29(4,5)6;1-27(2,3)24-15-19(14-17-6-4-5-7-20(17)24)25-22-9-8-21-18(10-12-28(29,30)31)16-33-26(21)23(22)11-13-32-25;1-17-11-19(14-21(12-17)28(6,7)8)25-23-13-18(2)24-20(15-27(3,4)5)16-30-26(24)22(23)9-10-29-25;1-17-12-18(14-20(13-17)27(5,6)7)24-22-9-8-21-19(15-26(2,3)4)16-29-25(21)23(22)10-11-28-24;1-15-11-16(2)13-18(12-15)23-19-7-8-20-22(14-25(4,5)6)17(3)27-24(20)21(19)9-10-26-23;1-15-10-16(2)12-17(11-15)22-20-7-6-19-18(13-24(3,4)5)14-26-23(19)21(20)8-9-25-22;1-15-10-16(2)12-18(11-15)22-21-17(8-9-25-22)6-7-20-19(13-24(3,4)5)14-26-23(20)21;1-14-10-15(2)12-17(11-14)21-20-16(8-9-24-21)6-7-18-22(20)25-19(26-18)13-23(3,4)5/h2*7-16,18H,17H2,1-6H3;7-16H,17H2,1-6H3;4-9,11,13-16H,10,12H2,1-3H3;9-14,16H,15H2,1-8H3;8-14,16H,15H2,1-7H3;7-13H,14H2,1-6H3;2*6-12,14H,13H2,1-5H3;6-12H,13H2,1-5H3.
What are the key properties of 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline?
6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline has a molecular weight of 3999.74 g/mol, XLogP of 80.44, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline is sourced from PubChem (CID 161324597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).