6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C45H50F6N2O2 — CID 89337781

About 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 89337781) has the molecular formula C45H50F6N2O2 and a molecular weight of 764.90 g/mol. Its IUPAC name is 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

• Compound Name: 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
• PubChem CID: 89337781
• Molecular Formula: C45H50F6N2O2
• Molecular Weight: 764.90 g/mol
• Exact Mass: 764.38
• IUPAC Name: 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
• SMILES: C=C1CCN2CCC(C)(C)c3cc(C=Cc4cc(C(F)(F)F)c(C=Cc5cc6c7c(c5OC)C(C)(C)CCN7CCC6(C)C)cc4C(F)(F)F)c(OC)c1c32
• InChI: InChI=1S/C45H50F6N2O2/c1-26-14-18-52-19-15-41(2,3)33-24-29(39(54-8)35(26)37(33)52)12-10-27-22-32(45(49,50)51)28(23-31(27)44(46,47)48)11-13-30-25-34-38-36(40(30)55-9)43(6,7)17-21-53(38)20-16-42(34,4)5/h10-13,22-25H,1,14-21H2,2-9H3
• InChIKey: LDYSNCAZSGAQMI-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.90
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?

The IUPAC name of 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 89337781) is 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

What is the SMILES notation for 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?

The canonical SMILES for 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is C=C1CCN2CCC(C)(C)c3cc(C=Cc4cc(C(F)(F)F)c(C=Cc5cc6c7c(c5OC)C(C)(C)CCN7CCC6(C)C)cc4C(F)(F)F)c(OC)c1c32.

What is the InChIKey of 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?

The InChIKey is LDYSNCAZSGAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50F6N2O2/c1-26-14-18-52-19-15-41(2,3)33-24-29(39(54-8)35(26)37(33)52)12-10-27-22-32(45(49,50)51)28(23-31(27)44(46,47)48)11-13-30-25-34-38-36(40(30)55-9)43(6,7)17-21-53(38)20-16-42(34,4)5/h10-13,22-25H,1,14-21H2,2-9H3.

What are the key properties of 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?

6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 764.90 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-7-[2-[4-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 89337781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).