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

C42H71N5 — CID 140888519

IUPAC11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole
SMILESC1CCC(C2CNC(N3CCC4CC(N5C6CCCCC6C6CC7C(CC65)C5CCCCC5N7C5CCCCC5)CCC43)CN2)CC1
InChIInChI=1S/C42H71N5/c1-3-11-28(12-4-1)36-26-44-42(27-43-36)45-22-21-29-23-31(19-20-37(29)45)47-39-18-10-8-16-33(39)35-24-40-34(25-41(35)47)32-15-7-9-17-38(32)46(40)30-13-5-2-6-14-30/h28-44H,1-27H2
InChIKeySKYWOYUSZMXGNU-UHFFFAOYSA-N
MW646.07 g/mol
LogP7.54
Rot. Bonds4

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

11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole (PubChem CID 140888519) has the molecular formula C42H71N5 and a molecular weight of 646.07 g/mol. Its IUPAC name is 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole
PubChem CID140888519
Molecular FormulaC42H71N5
Molecular Weight646.07 g/mol
Exact Mass645.57
IUPAC Name11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole
SMILESC1CCC(C2CNC(N3CCC4CC(N5C6CCCCC6C6CC7C(CC65)C5CCCCC5N7C5CCCCC5)CCC43)CN2)CC1
InChIInChI=1S/C42H71N5/c1-3-11-28(12-4-1)36-26-44-42(27-43-36)45-22-21-29-23-31(19-20-37(29)45)47-39-18-10-8-16-33(39)35-24-40-34(25-41(35)47)32-15-7-9-17-38(32)46(40)30-13-5-2-6-14-30/h28-44H,1-27H2
InChIKeySKYWOYUSZMXGNU-UHFFFAOYSA-N
XLogP7.54
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.07
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]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 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole?
The IUPAC name of 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole (CID 140888519) is 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole?
The canonical SMILES for 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole is C1CCC(C2CNC(N3CCC4CC(N5C6CCCCC6C6CC7C(CC65)C5CCCCC5N7C5CCCCC5)CCC43)CN2)CC1.
What is the InChIKey of 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole?
The InChIKey is SKYWOYUSZMXGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H71N5/c1-3-11-28(12-4-1)36-26-44-42(27-43-36)45-22-21-29-23-31(19-20-37(29)45)47-39-18-10-8-16-33(39)35-24-40-34(25-41(35)47)32-15-7-9-17-38(32)46(40)30-13-5-2-6-14-30/h28-44H,1-27H2.
What are the key properties of 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole?
11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole has a molecular weight of 646.07 g/mol, XLogP of 7.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 140888519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).