17-ethyl-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

C29H20F3N3 — CID 71732506

IUPAC17-ethyl-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
SMILESCCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C29H20F3N3/c1-2-35-27-21-16-10-9-15-20(21)25(19-13-7-4-8-14-19)34-26(27)24-22(29(30,31)32)17-23(33-28(24)35)18-11-5-3-6-12-18/h3-17H,2H2,1H3
InChIKeyUMYRRQVALHDDGC-UHFFFAOYSA-N
MW467.49 g/mol
LogP8.11
Rot. Bonds3

About 17-ethyl-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-ethyl-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 71732506) has the molecular formula C29H20F3N3 and a molecular weight of 467.49 g/mol. Its IUPAC name is 17-ethyl-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-ethyl-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 CID71732506
Molecular FormulaC29H20F3N3
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC Name17-ethyl-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
SMILESCCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C29H20F3N3/c1-2-35-27-21-16-10-9-15-20(21)25(19-13-7-4-8-14-19)34-26(27)24-22(29(30,31)32)17-23(33-28(24)35)18-11-5-3-6-12-18/h3-17H,2H2,1H3
InChIKeyUMYRRQVALHDDGC-UHFFFAOYSA-N
XLogP8.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-ethyl-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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Related Compounds

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B 220
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1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
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US11420970, Example 198
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Frequently Asked Questions

What is the IUPAC name of 17-ethyl-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-ethyl-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 71732506) is 17-ethyl-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-ethyl-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-ethyl-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 CCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of 17-ethyl-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 UMYRRQVALHDDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3N3/c1-2-35-27-21-16-10-9-15-20(21)25(19-13-7-4-8-14-19)34-26(27)24-22(29(30,31)32)17-23(33-28(24)35)18-11-5-3-6-12-18/h3-17H,2H2,1H3.
What are the key properties of 17-ethyl-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-ethyl-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 467.49 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethyl-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 71732506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).