10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine

C46H69N — CID 67951445

IUPAC10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine
SMILESCC/C=C\C(CCC)C1CC=CC(C2CC=C3C(C)C4CCCCC4C(C4=CC5=C(CCCC5)CC4)CN(C4C=CCCC4)C3C2)C1
InChIInChI=1S/C46H69N/c1-4-6-16-34(15-5-2)37-19-14-20-38(29-37)39-27-28-43-33(3)42-23-12-13-24-44(42)45(40-26-25-35-17-10-11-18-36(35)30-40)32-47(46(43)31-39)41-21-8-7-9-22-41/h6,8,14,16,20-21,28,30,33-34,37-39,41-42,44-46H,4-5,7,9-13,15,17-19,22-27,29,31-32H2,1-3H3/b16-6-
InChIKeyHSEDUOSTDJIRPM-SOFYXZRVSA-N
MW636.07 g/mol
LogP12.73
Rot. Bonds8

About 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine

10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine (PubChem CID 67951445) has the molecular formula C46H69N and a molecular weight of 636.07 g/mol. Its IUPAC name is 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine.

Molecular Properties

Compound Name10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine
PubChem CID67951445
Molecular FormulaC46H69N
Molecular Weight636.07 g/mol
Exact Mass635.54
IUPAC Name10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine
SMILESCC/C=C\C(CCC)C1CC=CC(C2CC=C3C(C)C4CCCCC4C(C4=CC5=C(CCCC5)CC4)CN(C4C=CCCC4)C3C2)C1
InChIInChI=1S/C46H69N/c1-4-6-16-34(15-5-2)37-19-14-20-38(29-37)39-27-28-43-33(3)42-23-12-13-24-44(42)45(40-26-25-35-17-10-11-18-36(35)30-40)32-47(46(43)31-39)41-21-8-7-9-22-41/h6,8,14,16,20-21,28,30,33-34,37-39,41-42,44-46H,4-5,7,9-13,15,17-19,22-27,29,31-32H2,1-3H3/b16-6-
InChIKeyHSEDUOSTDJIRPM-SOFYXZRVSA-N
XLogP12.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.07
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine 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 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine?
The IUPAC name of 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine (CID 67951445) is 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine.
What is the SMILES notation for 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine?
The canonical SMILES for 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine is CC/C=C\C(CCC)C1CC=CC(C2CC=C3C(C)C4CCCCC4C(C4=CC5=C(CCCC5)CC4)CN(C4C=CCCC4)C3C2)C1.
What is the InChIKey of 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine?
The InChIKey is HSEDUOSTDJIRPM-SOFYXZRVSA-N. The full InChI is InChI=1S/C46H69N/c1-4-6-16-34(15-5-2)37-19-14-20-38(29-37)39-27-28-43-33(3)42-23-12-13-24-44(42)45(40-26-25-35-17-10-11-18-36(35)30-40)32-47(46(43)31-39)41-21-8-7-9-22-41/h6,8,14,16,20-21,28,30,33-34,37-39,41-42,44-46H,4-5,7,9-13,15,17-19,22-27,29,31-32H2,1-3H3/b16-6-.
What are the key properties of 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine?
10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine has a molecular weight of 636.07 g/mol, XLogP of 12.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohex-2-en-1-yl-12-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-5-methyl-8-[5-[(Z)-oct-5-en-4-yl]cyclohex-2-en-1-yl]-2,3,4,4a,5,7,8,9,9a,11,12,12a-dodecahydro-1H-benzo[d][1]benzazocine is sourced from PubChem (CID 67951445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).