7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

C53H90N6 — CID 140888737

About 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (PubChem CID 140888737) has the molecular formula C53H90N6 and a molecular weight of 811.34 g/mol. Its IUPAC name is 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
• PubChem CID: 140888737
• Molecular Formula: C53H90N6
• Molecular Weight: 811.34 g/mol
• Exact Mass: 810.72
• IUPAC Name: 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
• SMILES: C1CCC(C2CNC(C3CCC(N4CC(C5CCC(N6C7CCCCC7C7CC8C9CCCCC9N(C9CCCCC9)C8CC76)CC5)C5CNCCC54)CC3)CN2)CC1
• InChI: InChI=1S/C53H90N6/c1-3-11-36(12-4-1)47-32-56-48(33-55-47)37-21-23-38(24-22-37)57-34-46(45-31-54-28-27-49(45)57)35-19-25-40(26-20-35)59-51-18-10-8-16-42(51)44-29-43-41-15-7-9-17-50(41)58(52(43)30-53(44)59)39-13-5-2-6-14-39/h35-56H,1-34H2
• InChIKey: DIGQXQGHLNLHDQ-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 45.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.34
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

The IUPAC name of 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (CID 140888737) is 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.

What is the SMILES notation for 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

The canonical SMILES for 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is C1CCC(C2CNC(C3CCC(N4CC(C5CCC(N6C7CCCCC7C7CC8C9CCCCC9N(C9CCCCC9)C8CC76)CC5)C5CNCCC54)CC3)CN2)CC1.

What is the InChIKey of 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

The InChIKey is DIGQXQGHLNLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H90N6/c1-3-11-36(12-4-1)47-32-56-48(33-55-47)37-21-23-38(24-22-37)57-34-46(45-31-54-28-27-49(45)57)35-19-25-40(26-20-35)59-51-18-10-8-16-42(51)44-29-43-41-15-7-9-17-50(41)58(52(43)30-53(44)59)39-13-5-2-6-14-39/h35-56H,1-34H2.

What are the key properties of 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole has a molecular weight of 811.34 g/mol, XLogP of 9.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 140888737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).