6-methoxy-7-[2-[6-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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

C48H48F6N2O2 — CID 89337774

About 6-methoxy-7-[2-[6-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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 89337774) has the molecular formula C48H48F6N2O2 and a molecular weight of 798.91 g/mol. Its IUPAC name is 6-methoxy-7-[2-[6-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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: 89337774
• Molecular Formula: C48H48F6N2O2
• Molecular Weight: 798.91 g/mol
• Exact Mass: 798.36
• IUPAC Name: 6-methoxy-7-[2-[6-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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)(C)c3c(OC)c(C=Cc4ccc5c(C(F)(F)F)c(C=Cc6cc7c8c(c6OC)C(=C)CCN8CCC7(C)C)ccc5c4C(F)(F)F)cc1c32
• InChI: InChI=1S/C48H48F6N2O2/c1-27-17-21-55-24-20-46(5,6)40-41(55)35(27)25-31(44(40)58-8)11-9-29-13-15-34-33(38(29)47(49,50)51)16-14-30(39(34)48(52,53)54)10-12-32-26-36-42-37(43(32)57-7)28(2)18-22-56(42)23-19-45(36,3)4/h9-16,25-26H,1-2,17-24H2,3-8H3
• InChIKey: JKHNYASJOXJOKH-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.91
LogP ≤ 5	13.04
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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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 89337774) is 6-methoxy-7-[2-[6-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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)(C)c3c(OC)c(C=Cc4ccc5c(C(F)(F)F)c(C=Cc6cc7c8c(c6OC)C(=C)CCN8CCC7(C)C)ccc5c4C(F)(F)F)cc1c32.

What is the InChIKey of 6-methoxy-7-[2-[6-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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 JKHNYASJOXJOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48F6N2O2/c1-27-17-21-55-24-20-46(5,6)40-41(55)35(27)25-31(44(40)58-8)11-9-29-13-15-34-33(38(29)47(49,50)51)16-14-30(39(34)48(52,53)54)10-12-32-26-36-42-37(43(32)57-7)28(2)18-22-56(42)23-19-45(36,3)4/h9-16,25-26H,1-2,17-24H2,3-8H3.

What are the key properties of 6-methoxy-7-[2-[6-[2-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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 798.91 g/mol, XLogP of 13.04, 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-(8-methoxy-4,4-dimethyl-10-methylidene-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-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 89337774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).