4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine

C58H91N — CID 130349439

About 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine

4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine (PubChem CID 130349439) has the molecular formula C58H91N and a molecular weight of 802.37 g/mol. Its IUPAC name is 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine.

Molecular Properties

• Compound Name: 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine
• PubChem CID: 130349439
• Molecular Formula: C58H91N
• Molecular Weight: 802.37 g/mol
• Exact Mass: 801.72
• IUPAC Name: 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine
• SMILES: CC1CC(C2CCCCC2)C=CC1C1CC(C2CCC3C(C2)C(C2CCC4=C(CCCC4)C2)C2CCCCC2C3C2CCC3CCCCC3C2)CC(C2C=CCCC2)N1
• InChI: InChI=1S/C58H91N/c1-38-32-45(39-14-4-2-5-15-39)28-30-50(38)56-37-49(36-55(59-56)42-18-6-3-7-19-42)46-29-31-53-54(35-46)58(48-27-25-41-17-9-11-21-44(41)34-48)52-23-13-12-22-51(52)57(53)47-26-24-40-16-8-10-20-43(40)33-47/h6,18,28,30,38-40,42-43,45-59H,2-5,7-17,19-27,29,31-37H2,1H3
• InChIKey: DGTVYIJRZVUMJQ-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.37
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine?

The IUPAC name of 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine (CID 130349439) is 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine.

What is the SMILES notation for 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine?

The canonical SMILES for 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine is CC1CC(C2CCCCC2)C=CC1C1CC(C2CCC3C(C2)C(C2CCC4=C(CCCC4)C2)C2CCCCC2C3C2CCC3CCCCC3C2)CC(C2C=CCCC2)N1.

What is the InChIKey of 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine?

The InChIKey is DGTVYIJRZVUMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H91N/c1-38-32-45(39-14-4-2-5-15-39)28-30-50(38)56-37-49(36-55(59-56)42-18-6-3-7-19-42)46-29-31-53-54(35-46)58(48-27-25-41-17-9-11-21-44(41)34-48)52-23-13-12-22-51(52)57(53)47-26-24-40-16-8-10-20-43(40)33-47/h6,18,28,30,38-40,42-43,45-59H,2-5,7-17,19-27,29,31-37H2,1H3.

What are the key properties of 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine?

4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine has a molecular weight of 802.37 g/mol, XLogP of 15.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-9-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]-2-cyclohex-2-en-1-yl-6-(4-cyclohexyl-6-methylcyclohex-2-en-1-yl)piperidine is sourced from PubChem (CID 130349439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).