10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C12H6F3N7 — CID 8009264

IUPAC10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFC(F)(F)c1nc2c(cnn2-c2ccccc2)c2nnnn12
InChIInChI=1S/C12H6F3N7/c13-12(14,15)11-17-9-8(10-18-19-20-22(10)11)6-16-21(9)7-4-2-1-3-5-7/h1-6H
InChIKeyQLDVGLFOQRHJTP-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.88
Rot. Bonds1

About 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 8009264) has the molecular formula C12H6F3N7 and a molecular weight of 305.22 g/mol. Its IUPAC name is 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID8009264
Molecular FormulaC12H6F3N7
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFC(F)(F)c1nc2c(cnn2-c2ccccc2)c2nnnn12
InChIInChI=1S/C12H6F3N7/c13-12(14,15)11-17-9-8(10-18-19-20-22(10)11)6-16-21(9)7-4-2-1-3-5-7/h1-6H
InChIKeyQLDVGLFOQRHJTP-UHFFFAOYSA-N
XLogP1.88
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 8009264) is 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is FC(F)(F)c1nc2c(cnn2-c2ccccc2)c2nnnn12.
What is the InChIKey of 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is QLDVGLFOQRHJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N7/c13-12(14,15)11-17-9-8(10-18-19-20-22(10)11)6-16-21(9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 305.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 8009264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).