2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole

C242H219N29O5S6 — CID 157365719

IUPAC2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3sccc23)C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(c5)OCc5[nH]c(C(C)C)nc5-6)ccc4c3cc2C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(ccc7[nH]c(C(C)C)nc76)c5)ccc4c3cc2C1.CC(C)c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)COc3c-4ccc4[nH]c(C(C)C)nc34)ccc1-2.CC(C)c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)sc3c4ccc4[nH]c(C(C)C)nc43)ccc1-2.CC(C)c1nc2c([nH]1)COc1cc(-c3ccc4c(c3)sc3c4ccc4[nH]c(C(C)C)nc43)ccc1-2.CC(C)c1nc2c(ccc3cc(-c4ccc5c(c4)sc4c5ccc5[nH]c(C(C)C)nc54)ccc32)[nH]1.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(ccc5[nH]c(C(C)C)nc54)c2)cc1CO3
InChIInChI=1S/C31H30N4O.C31H28N4O.C31H27N3S.C30H28N4S.C30H26N4S.2C30H27N3OS.C29H26N4OS/c2*1-16(2)30-32-25-11-7-20-13-18(6-9-23(20)27(25)34-30)19-5-8-22-21(14-19)15-36-29-24(22)10-12-26-28(29)35-31(33-26)17(3)4;1-16(2)26-13-21-12-24-23-9-6-19(14-28(23)35-29(24)15-27(21)32-26)18-5-8-22-20(11-18)7-10-25-30(22)34-31(33-25)17(3)4;2*1-15(2)29-31-23-11-7-19-13-17(5-8-20(19)26(23)33-29)18-6-9-21-22-10-12-24-27(28(22)35-25(21)14-18)34-30(32-24)16(3)4;1-15(2)23-10-19-9-22-20-7-5-18(12-27(20)35-28(22)13-24(19)31-23)17-6-8-21-26(11-17)34-14-25-29(21)33-30(32-25)16(3)4;1-15(2)24-13-22-19-7-5-17(11-23(19)29-21(9-10-35-29)27(22)31-24)18-6-8-20-26(12-18)34-14-25-28(20)33-30(32-25)16(3)4;1-14(2)28-30-21-10-9-19-18-7-5-17(12-24(18)35-27(19)26(21)33-28)16-6-8-20-23(11-16)34-13-22-25(20)32-29(31-22)15(3)4/h5-6,8-10,12-14,16-17H,7,11,15H2,1-4H3,(H,32,34)(H,33,35);5-14,16-17H,15H2,1-4H3,(H,32,34)(H,33,35);5-12,14-17H,13H2,1-4H3,(H,33,34);5-6,8-10,12-16H,7,11H2,1-4H3,(H,31,33)(H,32,34);5-16H,1-4H3,(H,31,33)(H,32,34);5-9,11-13,15-16H,10,14H2,1-4H3,(H,32,33);5-12,15-16H,13-14H2,1-4H3,(H,32,33);5-12,14-15H,13H2,1-4H3,(H,30,33)(H,31,32)
InChIKeyBJDPXKBQKLZBQA-UHFFFAOYSA-N
MW3806.01 g/mol
LogP66.91
Rot. Bonds24

About 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole

2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole (PubChem CID 157365719) has the molecular formula C242H219N29O5S6 and a molecular weight of 3806.01 g/mol. Its IUPAC name is 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole.

Molecular Properties

Compound Name2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole
PubChem CID157365719
Molecular FormulaC242H219N29O5S6
Molecular Weight3806.01 g/mol
Exact Mass3802.61
IUPAC Name2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3sccc23)C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(c5)OCc5[nH]c(C(C)C)nc5-6)ccc4c3cc2C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(ccc7[nH]c(C(C)C)nc76)c5)ccc4c3cc2C1.CC(C)c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)COc3c-4ccc4[nH]c(C(C)C)nc34)ccc1-2.CC(C)c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)sc3c4ccc4[nH]c(C(C)C)nc43)ccc1-2.CC(C)c1nc2c([nH]1)COc1cc(-c3ccc4c(c3)sc3c4ccc4[nH]c(C(C)C)nc43)ccc1-2.CC(C)c1nc2c(ccc3cc(-c4ccc5c(c4)sc4c5ccc5[nH]c(C(C)C)nc54)ccc32)[nH]1.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(ccc5[nH]c(C(C)C)nc54)c2)cc1CO3
InChIInChI=1S/C31H30N4O.C31H28N4O.C31H27N3S.C30H28N4S.C30H26N4S.2C30H27N3OS.C29H26N4OS/c2*1-16(2)30-32-25-11-7-20-13-18(6-9-23(20)27(25)34-30)19-5-8-22-21(14-19)15-36-29-24(22)10-12-26-28(29)35-31(33-26)17(3)4;1-16(2)26-13-21-12-24-23-9-6-19(14-28(23)35-29(24)15-27(21)32-26)18-5-8-22-20(11-18)7-10-25-30(22)34-31(33-25)17(3)4;2*1-15(2)29-31-23-11-7-19-13-17(5-8-20(19)26(23)33-29)18-6-9-21-22-10-12-24-27(28(22)35-25(21)14-18)34-30(32-24)16(3)4;1-15(2)23-10-19-9-22-20-7-5-18(12-27(20)35-28(22)13-24(19)31-23)17-6-8-21-26(11-17)34-14-25-29(21)33-30(32-25)16(3)4;1-15(2)24-13-22-19-7-5-17(11-23(19)29-21(9-10-35-29)27(22)31-24)18-6-8-20-26(12-18)34-14-25-28(20)33-30(32-25)16(3)4;1-14(2)28-30-21-10-9-19-18-7-5-17(12-24(18)35-27(19)26(21)33-28)16-6-8-20-23(11-16)34-13-22-25(20)32-29(31-22)15(3)4/h5-6,8-10,12-14,16-17H,7,11,15H2,1-4H3,(H,32,34)(H,33,35);5-14,16-17H,15H2,1-4H3,(H,32,34)(H,33,35);5-12,14-17H,13H2,1-4H3,(H,33,34);5-6,8-10,12-16H,7,11H2,1-4H3,(H,31,33)(H,32,34);5-16H,1-4H3,(H,31,33)(H,32,34);5-9,11-13,15-16H,10,14H2,1-4H3,(H,32,33);5-12,15-16H,13-14H2,1-4H3,(H,32,33);5-12,14-15H,13H2,1-4H3,(H,30,33)(H,31,32)
InChIKeyBJDPXKBQKLZBQA-UHFFFAOYSA-N
XLogP66.91
TPSA456.07 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003806.01
LogP ≤ 566.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole with MolForge

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Launch Full Analysis

Related Compounds

12-(4-Methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-4-propan-2-yl-8-oxa-11-thia-3,5-diazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),3,10(14),12,15-hexaene
CID 67681409
7-(4-Methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 67684496
2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole
CID 89934451
2-Propan-2-yl-7-(4-propan-2-yl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 89934531
13-Propan-2-yl-5-(4-propan-2-yl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5,8,11(15),12-heptaene
CID 89934534
4-Propan-2-yl-12-(4-propan-2-yl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-8-oxa-11-thia-3,5-diazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),3,10(14),12,15-hexaene
CID 89945460
7-(4-Methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole
CID 89945613
2-Methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole
CID 118569235
13-Methyl-5-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5,8,11(15),12-heptaene
CID 118569394
4-Methyl-12-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-8-oxa-11-thia-3,5-diazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),3,10(14),12,15-hexaene
CID 118569410
2-Methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 118569464
7-(4-Ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole
CID 139299595

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The IUPAC name of 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole (CID 157365719) is 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole.
What is the SMILES notation for 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The canonical SMILES for 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole is CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3sccc23)C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(c5)OCc5[nH]c(C(C)C)nc5-6)ccc4c3cc2C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(ccc7[nH]c(C(C)C)nc76)c5)ccc4c3cc2C1.CC(C)c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)COc3c-4ccc4[nH]c(C(C)C)nc34)ccc1-2.CC(C)c1nc2c([nH]1)CCc1cc(-c3ccc4c(c3)sc3c4ccc4[nH]c(C(C)C)nc43)ccc1-2.CC(C)c1nc2c([nH]1)COc1cc(-c3ccc4c(c3)sc3c4ccc4[nH]c(C(C)C)nc43)ccc1-2.CC(C)c1nc2c(ccc3cc(-c4ccc5c(c4)sc4c5ccc5[nH]c(C(C)C)nc54)ccc32)[nH]1.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(ccc5[nH]c(C(C)C)nc54)c2)cc1CO3.
What is the InChIKey of 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The InChIKey is BJDPXKBQKLZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O.C31H28N4O.C31H27N3S.C30H28N4S.C30H26N4S.2C30H27N3OS.C29H26N4OS/c2*1-16(2)30-32-25-11-7-20-13-18(6-9-23(20)27(25)34-30)19-5-8-22-21(14-19)15-36-29-24(22)10-12-26-28(29)35-31(33-26)17(3)4;1-16(2)26-13-21-12-24-23-9-6-19(14-28(23)35-29(24)15-27(21)32-26)18-5-8-22-20(11-18)7-10-25-30(22)34-31(33-25)17(3)4;2*1-15(2)29-31-23-11-7-19-13-17(5-8-20(19)26(23)33-29)18-6-9-21-22-10-12-24-27(28(22)35-25(21)14-18)34-30(32-24)16(3)4;1-15(2)23-10-19-9-22-20-7-5-18(12-27(20)35-28(22)13-24(19)31-23)17-6-8-21-26(11-17)34-14-25-29(21)33-30(32-25)16(3)4;1-15(2)24-13-22-19-7-5-17(11-23(19)29-21(9-10-35-29)27(22)31-24)18-6-8-20-26(12-18)34-14-25-28(20)33-30(32-25)16(3)4;1-14(2)28-30-21-10-9-19-18-7-5-17(12-24(18)35-27(19)26(21)33-28)16-6-8-20-23(11-16)34-13-22-25(20)32-29(31-22)15(3)4/h5-6,8-10,12-14,16-17H,7,11,15H2,1-4H3,(H,32,34)(H,33,35);5-14,16-17H,15H2,1-4H3,(H,32,34)(H,33,35);5-12,14-17H,13H2,1-4H3,(H,33,34);5-6,8-10,12-16H,7,11H2,1-4H3,(H,31,33)(H,32,34);5-16H,1-4H3,(H,31,33)(H,32,34);5-9,11-13,15-16H,10,14H2,1-4H3,(H,32,33);5-12,15-16H,13-14H2,1-4H3,(H,32,33);5-12,14-15H,13H2,1-4H3,(H,30,33)(H,31,32).
What are the key properties of 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole has a molecular weight of 3806.01 g/mol, XLogP of 66.91, 24 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-8-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazol-8-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-[1]benzothiolo[3,2-f]indol-7-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;2-propan-2-yl-7-(9-propan-2-yl-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-15-yl)-3,4-dihydrochromeno[3,4-d]imidazole is sourced from PubChem (CID 157365719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).