17-ethyl-8-methyl-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

C24H18F3N3 — CID 71732505

IUPAC17-ethyl-8-methyl-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
SMILESCCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(C)c3ccccc3c21
InChIInChI=1S/C24H18F3N3/c1-3-30-22-17-12-8-7-11-16(17)14(2)28-21(22)20-18(24(25,26)27)13-19(29-23(20)30)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeyOJVQIEXFHNIUAB-UHFFFAOYSA-N
MW405.42 g/mol
LogP6.75
Rot. Bonds2

About 17-ethyl-8-methyl-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

17-ethyl-8-methyl-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 71732505) has the molecular formula C24H18F3N3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 17-ethyl-8-methyl-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 Name17-ethyl-8-methyl-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 CID71732505
Molecular FormulaC24H18F3N3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name17-ethyl-8-methyl-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
SMILESCCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(C)c3ccccc3c21
InChIInChI=1S/C24H18F3N3/c1-3-30-22-17-12-8-7-11-16(17)14(2)28-21(22)20-18(24(25,26)27)13-19(29-23(20)30)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeyOJVQIEXFHNIUAB-UHFFFAOYSA-N
XLogP6.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-ethyl-8-methyl-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 17-ethyl-8-methyl-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 17-ethyl-8-methyl-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 71732505) is 17-ethyl-8-methyl-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 17-ethyl-8-methyl-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 17-ethyl-8-methyl-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 CCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c2nc(C)c3ccccc3c21.
What is the InChIKey of 17-ethyl-8-methyl-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 OJVQIEXFHNIUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3/c1-3-30-22-17-12-8-7-11-16(17)14(2)28-21(22)20-18(24(25,26)27)13-19(29-23(20)30)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3.
What are the key properties of 17-ethyl-8-methyl-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?
17-ethyl-8-methyl-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 405.42 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethyl-8-methyl-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 71732505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).