17-methyl-8,14-diphenyl-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

C28H18F3N3 — CID 71732503

IUPAC17-methyl-8,14-diphenyl-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
SMILESCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C28H18F3N3/c1-34-26-20-15-9-8-14-19(20)24(18-12-6-3-7-13-18)33-25(26)23-21(28(29,30)31)16-22(32-27(23)34)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyVLUFXCXJHURRIN-UHFFFAOYSA-N
MW453.47 g/mol
LogP7.63
Rot. Bonds2

About 17-methyl-8,14-diphenyl-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

17-methyl-8,14-diphenyl-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 71732503) has the molecular formula C28H18F3N3 and a molecular weight of 453.47 g/mol. Its IUPAC name is 17-methyl-8,14-diphenyl-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 Name17-methyl-8,14-diphenyl-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 CID71732503
Molecular FormulaC28H18F3N3
Molecular Weight453.47 g/mol
Exact Mass453.15
IUPAC Name17-methyl-8,14-diphenyl-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
SMILESCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C28H18F3N3/c1-34-26-20-15-9-8-14-19(20)24(18-12-6-3-7-13-18)33-25(26)23-21(28(29,30)31)16-22(32-27(23)34)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyVLUFXCXJHURRIN-UHFFFAOYSA-N
XLogP7.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.47
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-methyl-8,14-diphenyl-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 17-methyl-8,14-diphenyl-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 17-methyl-8,14-diphenyl-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 71732503) is 17-methyl-8,14-diphenyl-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 17-methyl-8,14-diphenyl-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 17-methyl-8,14-diphenyl-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 Cn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of 17-methyl-8,14-diphenyl-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 VLUFXCXJHURRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F3N3/c1-34-26-20-15-9-8-14-19(20)24(18-12-6-3-7-13-18)33-25(26)23-21(28(29,30)31)16-22(32-27(23)34)17-10-4-2-5-11-17/h2-16H,1H3.
What are the key properties of 17-methyl-8,14-diphenyl-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?
17-methyl-8,14-diphenyl-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 453.47 g/mol, XLogP of 7.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-8,14-diphenyl-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 71732503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).