(6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene

C52H70N2 — CID 67951385

About (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene

(6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene (PubChem CID 67951385) has the molecular formula C52H70N2 and a molecular weight of 723.15 g/mol. Its IUPAC name is (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene.

Molecular Properties

• Compound Name: (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene
• PubChem CID: 67951385
• Molecular Formula: C52H70N2
• Molecular Weight: 723.15 g/mol
• Exact Mass: 722.55
• IUPAC Name: (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene
• SMILES: C/C1=C2/C=CCCC2C(C2=CCC(C3C=CC4C=CCCC4C3)C=C2)CN(C2C=CCC3CCCCC32)C/C(C2CC=C(C3=CNCC3)CC2)=C\CC1C
• InChI: InChI=1S/C52H70N2/c1-36-18-19-47(41-22-20-40(21-23-41)46-30-31-53-33-46)34-54(52-17-9-13-42-11-5-6-15-49(42)52)35-51(50-16-8-7-14-48(50)37(36)2)43-27-24-39(25-28-43)45-29-26-38-10-3-4-12-44(38)32-45/h3,7,9-10,14,17,19-20,24,26-29,33,36,38-39,41-42,44-45,49-53H,4-6,8,11-13,15-16,18,21-23,25,30-32,34-35H2,1-2H3/b47-19+,48-37+
• InChIKey: AIBBCFPULMHXKX-SOICBQEBSA-N
• XLogP: 12.55
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.15
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene?

The IUPAC name of (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene (CID 67951385) is (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene.

What is the SMILES notation for (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene?

The canonical SMILES for (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene is C/C1=C2/C=CCCC2C(C2=CCC(C3C=CC4C=CCCC4C3)C=C2)CN(C2C=CCC3CCCCC32)C/C(C2CC=C(C3=CNCC3)CC2)=C\CC1C.

What is the InChIKey of (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene?

The InChIKey is AIBBCFPULMHXKX-SOICBQEBSA-N. The full InChI is InChI=1S/C52H70N2/c1-36-18-19-47(41-22-20-40(21-23-41)46-30-31-53-33-46)34-54(52-17-9-13-42-11-5-6-15-49(42)52)35-51(50-16-8-7-14-48(50)37(36)2)43-27-24-39(25-28-43)45-29-26-38-10-3-4-12-44(38)32-45/h3,7,9-10,14,17,19-20,24,26-29,33,36,38-39,41-42,44-45,49-53H,4-6,8,11-13,15-16,18,21-23,25,30-32,34-35H2,1-2H3/b47-19+,48-37+.

What are the key properties of (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene?

(6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene has a molecular weight of 723.15 g/mol, XLogP of 12.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene is sourced from PubChem (CID 67951385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).