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

C46H82N10 — CID 140888711

IUPAC5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
SMILESC1CCC2C(C1)C1C(CCC3C4CCCCC4N(C4CC(C5CNCCN5)CC(C5CNCCN5)C4)C31)N2C1CC(C2CNCCN2)CC(C2CNCCN2)C1
InChIInChI=1S/C46H82N10/c1-3-7-42-35(5-1)36-9-10-44-45(46(36)56(42)34-23-31(40-27-49-13-17-53-40)20-32(24-34)41-28-50-14-18-54-41)37-6-2-4-8-43(37)55(44)33-21-29(38-25-47-11-15-51-38)19-30(22-33)39-26-48-12-16-52-39/h29-54H,1-28H2
InChIKeyUQNSRIQRUBJYLX-UHFFFAOYSA-N
MW775.23 g/mol
LogP2.31
Rot. Bonds6

About 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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[3,5-di(piperazin-2-yl)cyclohexyl]-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 140888711) has the molecular formula C46H82N10 and a molecular weight of 775.23 g/mol. Its IUPAC name is 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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[3,5-di(piperazin-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
PubChem CID140888711
Molecular FormulaC46H82N10
Molecular Weight775.23 g/mol
Exact Mass774.67
IUPAC Name5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
SMILESC1CCC2C(C1)C1C(CCC3C4CCCCC4N(C4CC(C5CNCCN5)CC(C5CNCCN5)C4)C31)N2C1CC(C2CNCCN2)CC(C2CNCCN2)C1
InChIInChI=1S/C46H82N10/c1-3-7-42-35(5-1)36-9-10-44-45(46(36)56(42)34-23-31(40-27-49-13-17-53-40)20-32(24-34)41-28-50-14-18-54-41)37-6-2-4-8-43(37)55(44)33-21-29(38-25-47-11-15-51-38)19-30(22-33)39-26-48-12-16-52-39/h29-54H,1-28H2
InChIKeyUQNSRIQRUBJYLX-UHFFFAOYSA-N
XLogP2.31
TPSA102.72 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.23
LogP ≤ 52.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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

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Frequently Asked Questions

What is the IUPAC name of 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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[3,5-di(piperazin-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole (CID 140888711) is 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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[3,5-di(piperazin-2-yl)cyclohexyl]-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[3,5-di(piperazin-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole is C1CCC2C(C1)C1C(CCC3C4CCCCC4N(C4CC(C5CNCCN5)CC(C5CNCCN5)C4)C31)N2C1CC(C2CNCCN2)CC(C2CNCCN2)C1.
What is the InChIKey of 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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 UQNSRIQRUBJYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H82N10/c1-3-7-42-35(5-1)36-9-10-44-45(46(36)56(42)34-23-31(40-27-49-13-17-53-40)20-32(24-34)41-28-50-14-18-54-41)37-6-2-4-8-43(37)55(44)33-21-29(38-25-47-11-15-51-38)19-30(22-33)39-26-48-12-16-52-39/h29-54H,1-28H2.
What are the key properties of 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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[3,5-di(piperazin-2-yl)cyclohexyl]-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 775.23 g/mol, XLogP of 2.31, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[3,5-di(piperazin-2-yl)cyclohexyl]-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 140888711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).