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

C54H92N8 — CID 140888499

IUPAC5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
SMILESC1CCC(C2CNC(N3CCC4CC(N5C6CCCCC6C6C5CCC5C7CCCCC7N(C7CCC8C(CCN8C8CNC(C9CCCCC9)CN8)C7)C56)CCC43)CN2)CC1
InChIInChI=1S/C54H92N8/c1-3-11-35(12-4-1)44-31-57-51(33-55-44)59-27-25-37-29-39(19-22-46(37)59)61-49-18-10-8-16-43(49)53-50(61)24-21-42-41-15-7-9-17-48(41)62(54(42)53)40-20-23-47-38(30-40)26-28-60(47)52-34-56-45(32-58-52)36-13-5-2-6-14-36/h35-58H,1-34H2
InChIKeyTUOFKCBSKGCDOX-UHFFFAOYSA-N
MW853.39 g/mol
LogP7.92
Rot. Bonds6

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

5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole (PubChem CID 140888499) has the molecular formula C54H92N8 and a molecular weight of 853.39 g/mol. Its IUPAC name is 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
PubChem CID140888499
Molecular FormulaC54H92N8
Molecular Weight853.39 g/mol
Exact Mass852.74
IUPAC Name5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
SMILESC1CCC(C2CNC(N3CCC4CC(N5C6CCCCC6C6C5CCC5C7CCCCC7N(C7CCC8C(CCN8C8CNC(C9CCCCC9)CN8)C7)C56)CCC43)CN2)CC1
InChIInChI=1S/C54H92N8/c1-3-11-35(12-4-1)44-31-57-51(33-55-44)59-27-25-37-29-39(19-22-46(37)59)61-49-18-10-8-16-43(49)53-50(61)24-21-42-41-15-7-9-17-48(41)62(54(42)53)40-20-23-47-38(30-40)26-28-60(47)52-34-56-45(32-58-52)36-13-5-2-6-14-36/h35-58H,1-34H2
InChIKeyTUOFKCBSKGCDOX-UHFFFAOYSA-N
XLogP7.92
TPSA61.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.39
LogP ≤ 57.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole (CID 140888499) is 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole is C1CCC(C2CNC(N3CCC4CC(N5C6CCCCC6C6C5CCC5C7CCCCC7N(C7CCC8C(CCN8C8CNC(C9CCCCC9)CN8)C7)C56)CCC43)CN2)CC1.
What is the InChIKey of 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
The InChIKey is TUOFKCBSKGCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H92N8/c1-3-11-35(12-4-1)44-31-57-51(33-55-44)59-27-25-37-29-39(19-22-46(37)59)61-49-18-10-8-16-43(49)53-50(61)24-21-42-41-15-7-9-17-48(41)62(54(42)53)40-20-23-47-38(30-40)26-28-60(47)52-34-56-45(32-58-52)36-13-5-2-6-14-36/h35-58H,1-34H2.
What are the key properties of 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole?
5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole has a molecular weight of 853.39 g/mol, XLogP of 7.92, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole is sourced from PubChem (CID 140888499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).