6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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

C46H54F6N2O2 — CID 58932022

IUPAC6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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
SMILESCOc1c(C=Cc2cc(C(F)(F)F)c(C=Cc3cc4c5c(c3OC)C(C)(C)CCN5CCC4(C)C)cc2C(F)(F)F)cc2c3c1C(C)(C)CCN3CCC2(C)C
InChIInChI=1S/C46H54F6N2O2/c1-41(2)15-19-53-21-17-43(5,6)35-37(53)33(41)25-29(39(35)55-9)13-11-27-23-32(46(50,51)52)28(24-31(27)45(47,48)49)12-14-30-26-34-38-36(40(30)56-10)44(7,8)18-22-54(38)20-16-42(34,3)4/h11-14,23-26H,15-22H2,1-10H3
InChIKeySLYPGLBUGYRYAE-UHFFFAOYSA-N
MW780.94 g/mol
LogP12.42
Rot. Bonds6

About 6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 58932022) has the molecular formula C46H54F6N2O2 and a molecular weight of 780.94 g/mol. Its IUPAC name is 6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 Name6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 CID58932022
Molecular FormulaC46H54F6N2O2
Molecular Weight780.94 g/mol
Exact Mass780.41
IUPAC Name6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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
SMILESCOc1c(C=Cc2cc(C(F)(F)F)c(C=Cc3cc4c5c(c3OC)C(C)(C)CCN5CCC4(C)C)cc2C(F)(F)F)cc2c3c1C(C)(C)CCN3CCC2(C)C
InChIInChI=1S/C46H54F6N2O2/c1-41(2)15-19-53-21-17-43(5,6)35-37(53)33(41)25-29(39(35)55-9)13-11-27-23-32(46(50,51)52)28(24-31(27)45(47,48)49)12-14-30-26-34-38-36(40(30)56-10)44(7,8)18-22-54(38)20-16-42(34,3)4/h11-14,23-26H,15-22H2,1-10H3
InChIKeySLYPGLBUGYRYAE-UHFFFAOYSA-N
XLogP12.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.94
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 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 6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 58932022) is 6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 COc1c(C=Cc2cc(C(F)(F)F)c(C=Cc3cc4c5c(c3OC)C(C)(C)CCN5CCC4(C)C)cc2C(F)(F)F)cc2c3c1C(C)(C)CCN3CCC2(C)C.
What is the InChIKey of 6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 SLYPGLBUGYRYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54F6N2O2/c1-41(2)15-19-53-21-17-43(5,6)35-37(53)33(41)25-29(39(35)55-9)13-11-27-23-32(46(50,51)52)28(24-31(27)45(47,48)49)12-14-30-26-34-38-36(40(30)56-10)44(7,8)18-22-54(38)20-16-42(34,3)4/h11-14,23-26H,15-22H2,1-10H3.
What are the key properties of 6-methoxy-7-[2-[4-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 780.94 g/mol, XLogP of 12.42, 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-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-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 58932022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).