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

C48H84N8 — CID 140888520

IUPAC5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(C2NC(C3CCCCN3)CC(N3C4CCCCC4C4C3CCC3C5CCCCC5N(C5CC(C6CCCCN6)NC(C6CCCCC6)N5)C34)N2)CC1
InChIInChI=1S/C48H84N8/c1-3-15-31(16-4-1)47-51-38(36-21-11-13-27-49-36)29-43(53-47)55-41-24-10-8-20-35(41)45-42(55)26-25-34-33-19-7-9-23-40(33)56(46(34)45)44-30-39(37-22-12-14-28-50-37)52-48(54-44)32-17-5-2-6-18-32/h31-54H,1-30H2
InChIKeyGLALANAWWCYWBS-UHFFFAOYSA-N
MW773.26 g/mol
LogP7.15
Rot. Bonds6

About 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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 140888520) has the molecular formula C48H84N8 and a molecular weight of 773.26 g/mol. Its IUPAC name is 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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 CID140888520
Molecular FormulaC48H84N8
Molecular Weight773.26 g/mol
Exact Mass772.68
IUPAC Name5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(C2NC(C3CCCCN3)CC(N3C4CCCCC4C4C3CCC3C5CCCCC5N(C5CC(C6CCCCN6)NC(C6CCCCC6)N5)C34)N2)CC1
InChIInChI=1S/C48H84N8/c1-3-15-31(16-4-1)47-51-38(36-21-11-13-27-49-36)29-43(53-47)55-41-24-10-8-20-35(41)45-42(55)26-25-34-33-19-7-9-23-40(33)56(46(34)45)44-30-39(37-22-12-14-28-50-37)52-48(54-44)32-17-5-2-6-18-32/h31-54H,1-30H2
InChIKeyGLALANAWWCYWBS-UHFFFAOYSA-N
XLogP7.15
TPSA78.66 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500773.26
LogP ≤ 57.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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

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Frequently Asked Questions

What is the IUPAC name of 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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 140888520) is 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(C2NC(C3CCCCN3)CC(N3C4CCCCC4C4C3CCC3C5CCCCC5N(C5CC(C6CCCCN6)NC(C6CCCCC6)N5)C34)N2)CC1.
What is the InChIKey of 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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 GLALANAWWCYWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H84N8/c1-3-15-31(16-4-1)47-51-38(36-21-11-13-27-49-36)29-43(53-47)55-41-24-10-8-20-35(41)45-42(55)26-25-34-33-19-7-9-23-40(33)56(46(34)45)44-30-39(37-22-12-14-28-50-37)52-48(54-44)32-17-5-2-6-18-32/h31-54H,1-30H2.
What are the key properties of 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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 773.26 g/mol, XLogP of 7.15, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(2-cyclohexyl-6-piperidin-2-yl-1,3-diazinan-4-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 140888520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).