2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene

C246H207N27OS3 — CID 157157440

IUPAC2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
SMILESCC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)c4ccccc4c4nc(C(C)C)[nH]c54)cc3c3nccnc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)c4ccccc4c4nc(C(C)C)[nH]c54)cc3c3sccc23)C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)ccc4c3cc2C1.CC(C)c1nc2c(ccc3c4ccc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)cc4ccc32)[nH]1.CC(C)c1nc2c(ccc3c4ccc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)cc4sc32)[nH]1.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc(C(C)C)[nH]c42)cc1CC3.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc(C(C)C)[nH]c42)cc1CO3
InChIInChI=1S/C36H32N4.C36H30N4.C35H29N5.C35H30N4O.2C35H29N3S.C34H28N4S/c2*1-19(2)35-37-31-16-15-26-24-12-9-21(17-23(24)11-14-28(26)32(31)38-35)22-10-13-29-30(18-22)25-7-5-6-8-27(25)33-34(29)40-36(39-33)20(3)4;1-18(2)29-17-28-23-11-9-21(16-27(23)30-34(33(28)38-29)37-14-13-36-30)20-10-12-25-26(15-20)22-7-5-6-8-24(22)31-32(25)40-35(39-31)19(3)4;1-18(2)34-36-29-14-13-27-23-11-9-20(15-22(23)17-40-33(27)32(29)39-34)21-10-12-26-28(16-21)24-7-5-6-8-25(24)30-31(26)38-35(37-30)19(3)4;1-18(2)29-15-22-14-28-24-11-9-21(16-31(24)39-32(28)17-30(22)36-29)20-10-12-26-27(13-20)23-7-5-6-8-25(23)33-34(26)38-35(37-33)19(3)4;1-18(2)30-17-28-23-11-9-21(16-29(23)34-26(13-14-39-34)31(28)36-30)20-10-12-25-27(15-20)22-7-5-6-8-24(22)32-33(25)38-35(37-32)19(3)4;1-17(2)33-35-27-14-13-25-22-11-9-20(16-28(22)39-32(25)31(27)38-33)19-10-12-24-26(15-19)21-7-5-6-8-23(21)29-30(24)37-34(36-29)18(3)4/h5-10,12-13,15-20H,11,14H2,1-4H3,(H,37,38)(H,39,40);5-20H,1-4H3,(H,37,38)(H,39,40);5-16,18-19H,17H2,1-4H3,(H,39,40);5-16,18-19H,17H2,1-4H3,(H,36,39)(H,37,38);5-14,16-19H,15H2,1-4H3,(H,37,38);5-16,18-19H,17H2,1-4H3,(H,37,38);5-18H,1-4H3,(H,35,38)(H,36,37)
InChIKeyALZAZFPGBLGOAH-UHFFFAOYSA-N
MW3653.75 g/mol
LogP68.30
Rot. Bonds21

About 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene

2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene (PubChem CID 157157440) has the molecular formula C246H207N27OS3 and a molecular weight of 3653.75 g/mol. Its IUPAC name is 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene.

Molecular Properties

Compound Name2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
PubChem CID157157440
Molecular FormulaC246H207N27OS3
Molecular Weight3653.75 g/mol
Exact Mass3650.61
IUPAC Name2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
SMILESCC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)c4ccccc4c4nc(C(C)C)[nH]c54)cc3c3nccnc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)c4ccccc4c4nc(C(C)C)[nH]c54)cc3c3sccc23)C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)ccc4c3cc2C1.CC(C)c1nc2c(ccc3c4ccc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)cc4ccc32)[nH]1.CC(C)c1nc2c(ccc3c4ccc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)cc4sc32)[nH]1.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc(C(C)C)[nH]c42)cc1CC3.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc(C(C)C)[nH]c42)cc1CO3
InChIInChI=1S/C36H32N4.C36H30N4.C35H29N5.C35H30N4O.2C35H29N3S.C34H28N4S/c2*1-19(2)35-37-31-16-15-26-24-12-9-21(17-23(24)11-14-28(26)32(31)38-35)22-10-13-29-30(18-22)25-7-5-6-8-27(25)33-34(29)40-36(39-33)20(3)4;1-18(2)29-17-28-23-11-9-21(16-27(23)30-34(33(28)38-29)37-14-13-36-30)20-10-12-25-26(15-20)22-7-5-6-8-24(22)31-32(25)40-35(39-31)19(3)4;1-18(2)34-36-29-14-13-27-23-11-9-20(15-22(23)17-40-33(27)32(29)39-34)21-10-12-26-28(16-21)24-7-5-6-8-25(24)30-31(26)38-35(37-30)19(3)4;1-18(2)29-15-22-14-28-24-11-9-21(16-31(24)39-32(28)17-30(22)36-29)20-10-12-26-27(13-20)23-7-5-6-8-25(23)33-34(26)38-35(37-33)19(3)4;1-18(2)30-17-28-23-11-9-21(16-29(23)34-26(13-14-39-34)31(28)36-30)20-10-12-25-27(15-20)22-7-5-6-8-24(22)32-33(25)38-35(37-32)19(3)4;1-17(2)33-35-27-14-13-25-22-11-9-20(16-28(22)39-32(25)31(27)38-33)19-10-12-24-26(15-19)21-7-5-6-8-23(21)29-30(24)37-34(36-29)18(3)4/h5-10,12-13,15-20H,11,14H2,1-4H3,(H,37,38)(H,39,40);5-20H,1-4H3,(H,37,38)(H,39,40);5-16,18-19H,17H2,1-4H3,(H,39,40);5-16,18-19H,17H2,1-4H3,(H,36,39)(H,37,38);5-14,16-19H,15H2,1-4H3,(H,37,38);5-16,18-19H,17H2,1-4H3,(H,37,38);5-18H,1-4H3,(H,35,38)(H,36,37)
InChIKeyALZAZFPGBLGOAH-UHFFFAOYSA-N
XLogP68.30
TPSA387.57 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003653.75
LogP ≤ 568.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene with MolForge

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Launch Full Analysis

Related Compounds

12-(4-Methyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-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 67683715
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-(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
12-(4-Propan-2-yl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-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 89940545
4-Propan-2-yl-12-(4-propan-2-yl-3,5,8,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-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 89945576
4-Propan-2-yl-12-(4-propan-2-yl-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-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 89945694
4-Methyl-12-(4-methyl-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-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 118569043
4-Methyl-12-(4-methyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-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 118569142
4-Methyl-12-(4-methyl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-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 118569349
4-Methyl-12-(4-methyl-3,5,8,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-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 118569434
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
4-Propan-2-yl-12-(4-propan-2-yl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-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 134269789

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene?
The IUPAC name of 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene (CID 157157440) is 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene.
What is the SMILES notation for 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene?
The canonical SMILES for 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene is CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)c4ccccc4c4nc(C(C)C)[nH]c54)cc3c3nccnc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)c4ccccc4c4nc(C(C)C)[nH]c54)cc3c3sccc23)C1.CC(C)C1=Nc2cc3sc4cc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)ccc4c3cc2C1.CC(C)c1nc2c(ccc3c4ccc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)cc4ccc32)[nH]1.CC(C)c1nc2c(ccc3c4ccc(-c5ccc6c(c5)c5ccccc5c5nc(C(C)C)[nH]c65)cc4sc32)[nH]1.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc(C(C)C)[nH]c42)cc1CC3.CC(C)c1nc2c3c(ccc2[nH]1)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc(C(C)C)[nH]c42)cc1CO3.
What is the InChIKey of 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene?
The InChIKey is ALZAZFPGBLGOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4.C36H30N4.C35H29N5.C35H30N4O.2C35H29N3S.C34H28N4S/c2*1-19(2)35-37-31-16-15-26-24-12-9-21(17-23(24)11-14-28(26)32(31)38-35)22-10-13-29-30(18-22)25-7-5-6-8-27(25)33-34(29)40-36(39-33)20(3)4;1-18(2)29-17-28-23-11-9-21(16-27(23)30-34(33(28)38-29)37-14-13-36-30)20-10-12-25-26(15-20)22-7-5-6-8-24(22)31-32(25)40-35(39-31)19(3)4;1-18(2)34-36-29-14-13-27-23-11-9-20(15-22(23)17-40-33(27)32(29)39-34)21-10-12-26-28(16-21)24-7-5-6-8-25(24)30-31(26)38-35(37-30)19(3)4;1-18(2)29-15-22-14-28-24-11-9-21(16-31(24)39-32(28)17-30(22)36-29)20-10-12-26-27(13-20)23-7-5-6-8-25(23)33-34(26)38-35(37-33)19(3)4;1-18(2)30-17-28-23-11-9-21(16-29(23)34-26(13-14-39-34)31(28)36-30)20-10-12-25-27(15-20)22-7-5-6-8-24(22)32-33(25)38-35(37-32)19(3)4;1-17(2)33-35-27-14-13-25-22-11-9-20(16-28(22)39-32(25)31(27)38-33)19-10-12-24-26(15-19)21-7-5-6-8-23(21)29-30(24)37-34(36-29)18(3)4/h5-10,12-13,15-20H,11,14H2,1-4H3,(H,37,38)(H,39,40);5-20H,1-4H3,(H,37,38)(H,39,40);5-16,18-19H,17H2,1-4H3,(H,39,40);5-16,18-19H,17H2,1-4H3,(H,36,39)(H,37,38);5-14,16-19H,15H2,1-4H3,(H,37,38);5-16,18-19H,17H2,1-4H3,(H,37,38);5-18H,1-4H3,(H,35,38)(H,36,37).
What are the key properties of 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene?
2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene has a molecular weight of 3653.75 g/mol, XLogP of 68.30, 21 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene is sourced from PubChem (CID 157157440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).