11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C60H42N6 — CID 163630075

About 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 163630075) has the molecular formula C60H42N6 and a molecular weight of 847.04 g/mol. Its IUPAC name is 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

• Compound Name: 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
• PubChem CID: 163630075
• Molecular Formula: C60H42N6
• Molecular Weight: 847.04 g/mol
• Exact Mass: 846.35
• IUPAC Name: 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
• SMILES: CC1(C2(C)c3cccnc3-c3c2cc(-n2c(-c4ccccc4)nc4ccccc42)c2ccccc32)c2cccnc2-c2c1cc(N1c3ccccc3NC1c1ccccc1)c1ccccc21
• InChI: InChI=1S/C60H42N6/c1-59(43-27-17-33-61-55(43)53-41-25-11-9-23-39(41)51(35-45(53)59)65-49-31-15-13-29-47(49)63-57(65)37-19-5-3-6-20-37)60(2)44-28-18-34-62-56(44)54-42-26-12-10-24-40(42)52(36-46(54)60)66-50-32-16-14-30-48(50)64-58(66)38-21-7-4-8-22-38/h3-36,57,63H,1-2H3
• InChIKey: HVIGQTCNANJPMT-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.04
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The IUPAC name of 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 163630075) is 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

What is the SMILES notation for 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The canonical SMILES for 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is CC1(C2(C)c3cccnc3-c3c2cc(-n2c(-c4ccccc4)nc4ccccc42)c2ccccc32)c2cccnc2-c2c1cc(N1c3ccccc3NC1c1ccccc1)c1ccccc21.

What is the InChIKey of 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The InChIKey is HVIGQTCNANJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N6/c1-59(43-27-17-33-61-55(43)53-41-25-11-9-23-39(41)51(35-45(53)59)65-49-31-15-13-29-47(49)63-57(65)37-19-5-3-6-20-37)60(2)44-28-18-34-62-56(44)54-42-26-12-10-24-40(42)52(36-46(54)60)66-50-32-16-14-30-48(50)64-58(66)38-21-7-4-8-22-38/h3-36,57,63H,1-2H3.

What are the key properties of 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 847.04 g/mol, XLogP of 14.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 163630075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).