8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C23H16F3N3 — CID 71732420

IUPAC8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCc1nc2c3c(C(F)(F)F)cc(-c4ccccc4)nc3n(C)c2c2ccccc12
InChIInChI=1S/C23H16F3N3/c1-13-15-10-6-7-11-16(15)21-20(27-13)19-17(23(24,25)26)12-18(28-22(19)29(21)2)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyADQYXPOIHIUCIQ-UHFFFAOYSA-N
MW391.40 g/mol
LogP6.27
Rot. Bonds1

About 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 71732420) has the molecular formula C23H16F3N3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID71732420
Molecular FormulaC23H16F3N3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCc1nc2c3c(C(F)(F)F)cc(-c4ccccc4)nc3n(C)c2c2ccccc12
InChIInChI=1S/C23H16F3N3/c1-13-15-10-6-7-11-16(15)21-20(27-13)19-17(23(24,25)26)12-18(28-22(19)29(21)2)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyADQYXPOIHIUCIQ-UHFFFAOYSA-N
XLogP6.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 71732420) is 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is Cc1nc2c3c(C(F)(F)F)cc(-c4ccccc4)nc3n(C)c2c2ccccc12.
What is the InChIKey of 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is ADQYXPOIHIUCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3/c1-13-15-10-6-7-11-16(15)21-20(27-13)19-17(23(24,25)26)12-18(28-22(19)29(21)2)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 391.40 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,17-dimethyl-14-phenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 71732420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).