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

C47H44F6N2O2 — CID 89337674

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

6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 89337674) has the molecular formula C47H44F6N2O2 and a molecular weight of 782.87 g/mol. Its IUPAC name is 6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

• Compound Name: 6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
• PubChem CID: 89337674
• Molecular Formula: C47H44F6N2O2
• Molecular Weight: 782.87 g/mol
• Exact Mass: 782.33
• IUPAC Name: 6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
• SMILES: C=C1CCN2CCC(=C)c3c(OC)c(C=Cc4ccc5c(C(F)(F)F)c(C=Cc6cc7c8c(c6OC)C(C)(C)CCN8CCC7=C)ccc5c4C(F)(F)F)cc1c32
• InChI: InChI=1S/C47H44F6N2O2/c1-26-16-20-54-22-18-28(3)37-41(54)35(26)24-31(43(37)56-6)10-8-29-12-14-34-33(38(29)46(48,49)50)15-13-30(39(34)47(51,52)53)9-11-32-25-36-27(2)17-21-55-23-19-45(4,5)40(42(36)55)44(32)57-7/h8-15,24-25H,1-3,16-23H2,4-7H3
• InChIKey: VYWYFGQRTIHQED-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.87
LogP ≤ 5	12.78
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-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?

The IUPAC name of 6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 89337674) is 6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

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

The canonical SMILES for 6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is C=C1CCN2CCC(=C)c3c(OC)c(C=Cc4ccc5c(C(F)(F)F)c(C=Cc6cc7c8c(c6OC)C(C)(C)CCN8CCC7=C)ccc5c4C(F)(F)F)cc1c32.

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

The InChIKey is VYWYFGQRTIHQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44F6N2O2/c1-26-16-20-54-22-18-28(3)37-41(54)35(26)24-31(43(37)56-6)10-8-29-12-14-34-33(38(29)46(48,49)50)15-13-30(39(34)47(51,52)53)9-11-32-25-36-27(2)17-21-55-23-19-45(4,5)40(42(36)55)44(32)57-7/h8-15,24-25H,1-3,16-23H2,4-7H3.

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

6-methoxy-7-[2-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 782.87 g/mol, XLogP of 12.78, 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-[6-[2-(6-methoxy-4,10-dimethylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 89337674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).