4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

C19H10F12N2 — CID 129162492

IUPAC4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESFC(F)(F)c1cc2c(c(C(F)(F)F)c1)CN1CN2Cc2c1cc(C(F)(F)F)cc2C(F)(F)F
InChIInChI=1S/C19H10F12N2/c20-16(21,22)8-1-12(18(26,27)28)10-5-32-7-33(14(10)3-8)6-11-13(19(29,30)31)2-9(4-15(11)32)17(23,24)25/h1-4H,5-7H2
InChIKeyGONUBYWGNCKQSW-UHFFFAOYSA-N
MW494.28 g/mol
LogP7.06
Rot. Bonds

About 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (PubChem CID 129162492) has the molecular formula C19H10F12N2 and a molecular weight of 494.28 g/mol. Its IUPAC name is 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
PubChem CID129162492
Molecular FormulaC19H10F12N2
Molecular Weight494.28 g/mol
Exact Mass494.07
IUPAC Name4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESFC(F)(F)c1cc2c(c(C(F)(F)F)c1)CN1CN2Cc2c1cc(C(F)(F)F)cc2C(F)(F)F
InChIInChI=1S/C19H10F12N2/c20-16(21,22)8-1-12(18(26,27)28)10-5-32-7-33(14(10)3-8)6-11-13(19(29,30)31)2-9(4-15(11)32)17(23,24)25/h1-4H,5-7H2
InChIKeyGONUBYWGNCKQSW-UHFFFAOYSA-N
XLogP7.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.28
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (CID 129162492) is 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is FC(F)(F)c1cc2c(c(C(F)(F)F)c1)CN1CN2Cc2c1cc(C(F)(F)F)cc2C(F)(F)F.
What is the InChIKey of 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The InChIKey is GONUBYWGNCKQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F12N2/c20-16(21,22)8-1-12(18(26,27)28)10-5-32-7-33(14(10)3-8)6-11-13(19(29,30)31)2-9(4-15(11)32)17(23,24)25/h1-4H,5-7H2.
What are the key properties of 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene has a molecular weight of 494.28 g/mol, XLogP of 7.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 129162492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).