4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole

C217H197N33O2 — CID 157443510

About 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole

4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole (PubChem CID 157443510) has the molecular formula C217H197N33O2 and a molecular weight of 3299.19 g/mol. Its IUPAC name is 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole.

Molecular Properties

• Compound Name: 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole
• PubChem CID: 157443510
• Molecular Formula: C217H197N33O2
• Molecular Weight: 3299.19 g/mol
• Exact Mass: 3296.63
• IUPAC Name: 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole
• SMILES: CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3cncnc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3cnncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3nccnc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ccncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3cnncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ccncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3cnncc23)C1
• InChI: InChI=1S/C32H28N4.C31H29N5.C31H27N5.2C31H29N5.C31H28N4O.C30H27N5O/c1-17(2)29-15-26-23-9-6-20(14-25(23)24-11-12-33-16-27(24)30(26)34-29)19-5-8-22-21(13-19)7-10-28-31(22)36-32(35-28)18(3)4;2*1-16(2)28-13-24-22-9-6-19(12-23(22)25-14-32-33-15-26(25)29(24)34-28)18-5-8-21-20(11-18)7-10-27-30(21)36-31(35-27)17(3)4;1-16(2)27-13-24-22-9-6-19(12-23(22)25-14-32-15-33-29(25)30(24)34-27)18-5-8-21-20(11-18)7-10-26-28(21)36-31(35-26)17(3)4;1-16(2)26-15-24-22-9-6-19(14-23(22)28-30(29(24)34-26)33-12-11-32-28)18-5-8-21-20(13-18)7-10-25-27(21)36-31(35-25)17(3)4;1-16(2)26-13-24-20-7-5-18(11-23(20)21-9-10-32-14-25(21)29(24)33-26)19-6-8-22-28(12-19)36-15-27-30(22)35-31(34-27)17(3)4;1-15(2)25-11-22-19-7-5-17(9-21(19)23-12-31-32-13-24(23)28(22)33-25)18-6-8-20-27(10-18)36-14-26-29(20)35-30(34-26)16(3)4/h5-14,16-18H,15H2,1-4H3,(H,35,36);5-6,8-9,11-12,14-17H,7,10,13H2,1-4H3,(H,35,36);5-12,14-17H,13H2,1-4H3,(H,35,36);5-6,8-9,11-12,14-17H,7,10,13H2,1-4H3,(H,35,36);5-6,8-9,11-14,16-17H,7,10,15H2,1-4H3,(H,35,36);5-12,14,16-17H,13,15H2,1-4H3,(H,34,35);5-10,12-13,15-16H,11,14H2,1-4H3,(H,34,35)
• InChIKey: BRYKXQYOVXXZCI-UHFFFAOYSA-N
• XLogP: 53.31
• TPSA: 460.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3299.19
LogP ≤ 5	53.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-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)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole (CID 157443510) is 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-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)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-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)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole is CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3cncnc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3cnncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)CCc4[nH]c(C(C)C)nc4-5)cc3c3nccnc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3ccncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)cc3c3cnncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3ccncc23)C1.CC(C)C1=Nc2c(c3ccc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)cc3c3cnncc23)C1.

What is the InChIKey of 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole?

The InChIKey is BRYKXQYOVXXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4.C31H29N5.C31H27N5.2C31H29N5.C31H28N4O.C30H27N5O/c1-17(2)29-15-26-23-9-6-20(14-25(23)24-11-12-33-16-27(24)30(26)34-29)19-5-8-22-21(13-19)7-10-28-31(22)36-32(35-28)18(3)4;2*1-16(2)28-13-24-22-9-6-19(12-23(22)25-14-32-33-15-26(25)29(24)34-28)18-5-8-21-20(11-18)7-10-27-30(21)36-31(35-27)17(3)4;1-16(2)27-13-24-22-9-6-19(12-23(22)25-14-32-15-33-29(25)30(24)34-27)18-5-8-21-20(11-18)7-10-26-28(21)36-31(35-26)17(3)4;1-16(2)26-15-24-22-9-6-19(14-23(22)28-30(29(24)34-26)33-12-11-32-28)18-5-8-21-20(13-18)7-10-25-27(21)36-31(35-25)17(3)4;1-16(2)26-13-24-20-7-5-18(11-23(20)21-9-10-32-14-25(21)29(24)33-26)19-6-8-22-28(12-19)36-15-27-30(22)35-31(34-27)17(3)4;1-15(2)25-11-22-19-7-5-17(9-21(19)23-12-31-32-13-24(23)28(22)33-25)18-6-8-20-27(10-18)36-14-26-29(20)35-30(34-26)16(3)4/h5-14,16-18H,15H2,1-4H3,(H,35,36);5-6,8-9,11-12,14-17H,7,10,13H2,1-4H3,(H,35,36);5-12,14-17H,13H2,1-4H3,(H,35,36);5-6,8-9,11-12,14-17H,7,10,13H2,1-4H3,(H,35,36);5-6,8-9,11-14,16-17H,7,10,15H2,1-4H3,(H,35,36);5-12,14,16-17H,13,15H2,1-4H3,(H,34,35);5-10,12-13,15-16H,11,14H2,1-4H3,(H,34,35).

What are the key properties of 4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole?

4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole has a molecular weight of 3299.19 g/mol, XLogP of 53.31, 21 rotatable bonds, 7 hydrogen bond donors, and 28 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)-3,16-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaene;4-propan-2-yl-10-(2-propan-2-yl-3H-benzo[e]benzimidazol-7-yl)-3,15,16-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-7-(4-propan-2-yl-3,16-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)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;4-propan-2-yl-10-(2-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl)-3,15,17-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-7-(4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaen-10-yl)-3,4-dihydrochromeno[3,4-d]imidazole is sourced from PubChem (CID 157443510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).