3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

C110H184N6 — CID 161395796

About 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (PubChem CID 161395796) has the molecular formula C110H184N6 and a molecular weight of 1590.72 g/mol. Its IUPAC name is 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.

Molecular Properties

• Compound Name: 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
• PubChem CID: 161395796
• Molecular Formula: C110H184N6
• Molecular Weight: 1590.72 g/mol
• Exact Mass: 1589.46
• IUPAC Name: 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
• SMILES: C1CCC(C2CC(C3CCCCC3)CC(N3C4CCCCC4C4CC(C5CCC6C(C5)C5CCCCC5N6C5CC(C6CCCCC6)NC(C6CCCCC6)C5)CCC43)C2)CC1.C1CCC(C2CC(C3CCCCC3)NC(N3C4CCCCC4C4CC(C5CCC6C(C5)C5CCCCC5N6C5CCCC6CCCCC65)CCC43)C2)CC1
• InChI: InChI=1S/C59H99N3.C51H85N3/c1-5-17-40(18-6-1)46-33-47(41-19-7-2-8-20-41)35-48(34-46)61-56-27-15-13-25-50(56)52-36-44(29-31-58(52)61)45-30-32-59-53(37-45)51-26-14-16-28-57(51)62(59)49-38-54(42-21-9-3-10-22-42)60-55(39-49)43-23-11-4-12-24-43;1-3-14-34(15-4-1)39-32-45(36-17-5-2-6-18-36)52-51(33-39)54-48-24-12-10-22-42(48)44-31-38(27-29-50(44)54)37-26-28-49-43(30-37)41-21-9-11-23-47(41)53(49)46-25-13-19-35-16-7-8-20-40(35)46/h40-60H,1-39H2;34-52H,1-33H2
• InChIKey: VTORUIBUOSMSEQ-UHFFFAOYSA-N
• XLogP: 27.42
• TPSA: 37.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1590.72
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

The IUPAC name of 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (CID 161395796) is 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.

What is the SMILES notation for 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

The canonical SMILES for 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is C1CCC(C2CC(C3CCCCC3)CC(N3C4CCCCC4C4CC(C5CCC6C(C5)C5CCCCC5N6C5CC(C6CCCCC6)NC(C6CCCCC6)C5)CCC43)C2)CC1.C1CCC(C2CC(C3CCCCC3)NC(N3C4CCCCC4C4CC(C5CCC6C(C5)C5CCCCC5N6C5CCCC6CCCCC65)CCC43)C2)CC1.

What is the InChIKey of 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

The InChIKey is VTORUIBUOSMSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H99N3.C51H85N3/c1-5-17-40(18-6-1)46-33-47(41-19-7-2-8-20-41)35-48(34-46)61-56-27-15-13-25-50(56)52-36-44(29-31-58(52)61)45-30-32-59-53(37-45)51-26-14-16-28-57(51)62(59)49-38-54(42-21-9-3-10-22-42)60-55(39-49)43-23-11-4-12-24-43;1-3-14-34(15-4-1)39-32-45(36-17-5-2-6-18-36)52-51(33-39)54-48-24-12-10-22-42(48)44-31-38(27-29-50(44)54)37-26-28-49-43(30-37)41-21-9-11-23-47(41)53(49)46-25-13-19-35-16-7-8-20-40(35)46/h40-60H,1-39H2;34-52H,1-33H2.

What are the key properties of 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole has a molecular weight of 1590.72 g/mol, XLogP of 27.42, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(4,6-dicyclohexylpiperidin-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;3-[9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-(2,6-dicyclohexylpiperidin-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is sourced from PubChem (CID 161395796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).