5,12-bis[3-(1,3-diazinan-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

C38H66N6 — CID 140888559

IUPAC5,12-bis[3-(1,3-diazinan-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
SMILESC1CNC(C2CCCC(N3C4CCCCC4C4C3CCC3C5CCCCC5N(C5CCCC(C6NCCCN6)C5)C34)C2)NC1
InChIInChI=1S/C38H66N6/c1-3-15-32-29(13-1)30-17-18-34-35(36(30)44(32)28-12-6-10-26(24-28)38-41-21-8-22-42-38)31-14-2-4-16-33(31)43(34)27-11-5-9-25(23-27)37-39-19-7-20-40-37/h25-42H,1-24H2
InChIKeyOCZYBJFTFXIXPB-UHFFFAOYSA-N
MW606.99 g/mol
LogP5.43
Rot. Bonds4

About 5,12-bis[3-(1,3-diazinan-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-(1,3-diazinan-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 140888559) has the molecular formula C38H66N6 and a molecular weight of 606.99 g/mol. Its IUPAC name is 5,12-bis[3-(1,3-diazinan-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-(1,3-diazinan-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 CID140888559
Molecular FormulaC38H66N6
Molecular Weight606.99 g/mol
Exact Mass606.53
IUPAC Name5,12-bis[3-(1,3-diazinan-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
SMILESC1CNC(C2CCCC(N3C4CCCCC4C4C3CCC3C5CCCCC5N(C5CCCC(C6NCCCN6)C5)C34)C2)NC1
InChIInChI=1S/C38H66N6/c1-3-15-32-29(13-1)30-17-18-34-35(36(30)44(32)28-12-6-10-26(24-28)38-41-21-8-22-42-38)31-14-2-4-16-33(31)43(34)27-11-5-9-25(23-27)37-39-19-7-20-40-37/h25-42H,1-24H2
InChIKeyOCZYBJFTFXIXPB-UHFFFAOYSA-N
XLogP5.43
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.99
LogP ≤ 55.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5,12-bis[3-(1,3-diazinan-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-(1,3-diazinan-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-(1,3-diazinan-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 140888559) is 5,12-bis[3-(1,3-diazinan-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-(1,3-diazinan-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-(1,3-diazinan-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 C1CNC(C2CCCC(N3C4CCCCC4C4C3CCC3C5CCCCC5N(C5CCCC(C6NCCCN6)C5)C34)C2)NC1.
What is the InChIKey of 5,12-bis[3-(1,3-diazinan-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 OCZYBJFTFXIXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H66N6/c1-3-15-32-29(13-1)30-17-18-34-35(36(30)44(32)28-12-6-10-26(24-28)38-41-21-8-22-42-38)31-14-2-4-16-33(31)43(34)27-11-5-9-25(23-27)37-39-19-7-20-40-37/h25-42H,1-24H2.
What are the key properties of 5,12-bis[3-(1,3-diazinan-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-(1,3-diazinan-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 606.99 g/mol, XLogP of 5.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[3-(1,3-diazinan-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 140888559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).