9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene

C24H19F2N — CID 102320780

IUPAC9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene
SMILESCC1(c2ccc(F)cc2)C=C(c2ccc(F)cc2)c2cccc3c2N1CC3
InChIInChI=1S/C24H19F2N/c1-24(18-7-11-20(26)12-8-18)15-22(16-5-9-19(25)10-6-16)21-4-2-3-17-13-14-27(24)23(17)21/h2-12,15H,13-14H2,1H3
InChIKeyACONMIIQXUVOLQ-UHFFFAOYSA-N
MW359.42 g/mol
LogP5.69
Rot. Bonds2

About 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene

9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene (PubChem CID 102320780) has the molecular formula C24H19F2N and a molecular weight of 359.42 g/mol. Its IUPAC name is 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene.

Molecular Properties

Compound Name9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene
PubChem CID102320780
Molecular FormulaC24H19F2N
Molecular Weight359.42 g/mol
Exact Mass359.15
IUPAC Name9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene
SMILESCC1(c2ccc(F)cc2)C=C(c2ccc(F)cc2)c2cccc3c2N1CC3
InChIInChI=1S/C24H19F2N/c1-24(18-7-11-20(26)12-8-18)15-22(16-5-9-19(25)10-6-16)21-4-2-3-17-13-14-27(24)23(17)21/h2-12,15H,13-14H2,1H3
InChIKeyACONMIIQXUVOLQ-UHFFFAOYSA-N
XLogP5.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-2,4-bis(pent-4-enyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene
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CID 58320925
3,3-dichloro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
CID 2785059
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
1-[2-(4-fluorophenyl)ethyl]-12,15-dimethylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]
CID 121304206

Frequently Asked Questions

What is the IUPAC name of 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene?
The IUPAC name of 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene (CID 102320780) is 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene.
What is the SMILES notation for 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene?
The canonical SMILES for 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene is CC1(c2ccc(F)cc2)C=C(c2ccc(F)cc2)c2cccc3c2N1CC3.
What is the InChIKey of 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene?
The InChIKey is ACONMIIQXUVOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N/c1-24(18-7-11-20(26)12-8-18)15-22(16-5-9-19(25)10-6-16)21-4-2-3-17-13-14-27(24)23(17)21/h2-12,15H,13-14H2,1H3.
What are the key properties of 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene?
9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene has a molecular weight of 359.42 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene is sourced from PubChem (CID 102320780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).