4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole

C193H175N21O2 — CID 157313795

IUPAC4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3ncccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ncccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ncccc23)C1
InChIInChI=1S/C33H31N3.C33H29N3.C32H30N4.C32H28N4.C32H29N3O.C31H28N4O/c2*1-18(2)30-17-28-25-13-10-21(16-27(25)24-7-5-6-8-26(24)31(28)34-30)20-9-12-23-22(15-20)11-14-29-32(23)36-33(35-29)19(3)4;2*1-17(2)28-16-26-23-11-8-20(15-25(23)29-24(30(26)34-28)6-5-13-33-29)19-7-10-22-21(14-19)9-12-27-31(22)36-32(35-27)18(3)4;1-17(2)27-15-26-22-11-9-19(13-25(22)21-7-5-6-8-23(21)30(26)33-27)20-10-12-24-29(14-20)36-16-28-31(24)35-32(34-28)18(3)4;1-16(2)25-14-24-20-9-7-18(12-23(20)28-22(29(24)33-25)6-5-11-32-28)19-8-10-21-27(13-19)36-15-26-30(21)35-31(34-26)17(3)4/h5-10,12-13,15-16,18-19H,11,14,17H2,1-4H3,(H,35,36);5-16,18-19H,17H2,1-4H3,(H,35,36);5-8,10-11,13-15,17-18H,9,12,16H2,1-4H3,(H,35,36);5-15,17-18H,16H2,1-4H3,(H,35,36);5-14,17-18H,15-16H2,1-4H3,(H,34,35);5-13,16-17H,14-15H2,1-4H3,(H,34,35)
InChIKeyBDIUUDJEIIASPM-UHFFFAOYSA-N
MW2820.67 g/mol
LogP50.19
Rot. Bonds18

About 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole

4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole (PubChem CID 157313795) has the molecular formula C193H175N21O2 and a molecular weight of 2820.67 g/mol. Its IUPAC name is 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole.

Molecular Properties

Compound Name4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole
PubChem CID157313795
Molecular FormulaC193H175N21O2
Molecular Weight2820.67 g/mol
Exact Mass2818.42
IUPAC Name4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3ncccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ncccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ncccc23)C1
InChIInChI=1S/C33H31N3.C33H29N3.C32H30N4.C32H28N4.C32H29N3O.C31H28N4O/c2*1-18(2)30-17-28-25-13-10-21(16-27(25)24-7-5-6-8-26(24)31(28)34-30)20-9-12-23-22(15-20)11-14-29-32(23)36-33(35-29)19(3)4;2*1-17(2)28-16-26-23-11-8-20(15-25(23)29-24(30(26)34-28)6-5-13-33-29)19-7-10-22-21(14-19)9-12-27-31(22)36-32(35-27)18(3)4;1-17(2)27-15-26-22-11-9-19(13-25(22)21-7-5-6-8-23(21)30(26)33-27)20-10-12-24-29(14-20)36-16-28-31(24)35-32(34-28)18(3)4;1-16(2)25-14-24-20-9-7-18(12-23(20)28-22(29(24)33-25)6-5-11-32-28)19-8-10-21-27(13-19)36-15-26-30(21)35-31(34-26)17(3)4/h5-10,12-13,15-16,18-19H,11,14,17H2,1-4H3,(H,35,36);5-16,18-19H,17H2,1-4H3,(H,35,36);5-8,10-11,13-15,17-18H,9,12,16H2,1-4H3,(H,35,36);5-15,17-18H,16H2,1-4H3,(H,35,36);5-14,17-18H,15-16H2,1-4H3,(H,34,35);5-13,16-17H,14-15H2,1-4H3,(H,34,35)
InChIKeyBDIUUDJEIIASPM-UHFFFAOYSA-N
XLogP50.19
TPSA303.37 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002820.67
LogP ≤ 550.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The IUPAC name of 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole (CID 157313795) is 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole.
What is the SMILES notation for 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The canonical SMILES for 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole is CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3ncccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ncccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ccccc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ncccc23)C1.
What is the InChIKey of 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The InChIKey is BDIUUDJEIIASPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3.C33H29N3.C32H30N4.C32H28N4.C32H29N3O.C31H28N4O/c2*1-18(2)30-17-28-25-13-10-21(16-27(25)24-7-5-6-8-26(24)31(28)34-30)20-9-12-23-22(15-20)11-14-29-32(23)36-33(35-29)19(3)4;2*1-17(2)28-16-26-23-11-8-20(15-25(23)29-24(30(26)34-28)6-5-13-33-29)19-7-10-22-21(14-19)9-12-27-31(22)36-32(35-27)18(3)4;1-17(2)27-15-26-22-11-9-19(13-25(22)21-7-5-6-8-23(21)30(26)33-27)20-10-12-24-29(14-20)36-16-28-31(24)35-32(34-28)18(3)4;1-16(2)25-14-24-20-9-7-18(12-23(20)28-22(29(24)33-25)6-5-11-32-28)19-8-10-21-27(13-19)36-15-26-30(21)35-31(34-26)17(3)4/h5-10,12-13,15-16,18-19H,11,14,17H2,1-4H3,(H,35,36);5-16,18-19H,17H2,1-4H3,(H,35,36);5-8,10-11,13-15,17-18H,9,12,16H2,1-4H3,(H,35,36);5-15,17-18H,16H2,1-4H3,(H,35,36);5-14,17-18H,15-16H2,1-4H3,(H,34,35);5-13,16-17H,14-15H2,1-4H3,(H,34,35).
What are the key properties of 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole has a molecular weight of 2820.67 g/mol, XLogP of 50.19, 18 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(4-propan-2-yl-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3H-phenanthro[9,10-b]pyrrole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-b]pyrrol-6-yl)-3,4-dihydrochromeno[3,4-d]imidazole is sourced from PubChem (CID 157313795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).