5,10-bis[4-(trifluoromethyl)phenyl]phenazine

C26H16F6N2 — CID 129057443

IUPAC5,10-bis[4-(trifluoromethyl)phenyl]phenazine
SMILESFC(F)(F)c1ccc(N2c3ccccc3N(c3ccc(C(F)(F)F)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H16F6N2/c27-25(28,29)17-9-13-19(14-10-17)33-21-5-1-2-6-22(21)34(24-8-4-3-7-23(24)33)20-15-11-18(12-16-20)26(30,31)32/h1-16H
InChIKeyKGCIHVDTVLIHTB-UHFFFAOYSA-N
MW470.42 g/mol
LogP8.98
Rot. Bonds2

About 5,10-bis[4-(trifluoromethyl)phenyl]phenazine

5,10-bis[4-(trifluoromethyl)phenyl]phenazine (PubChem CID 129057443) has the molecular formula C26H16F6N2 and a molecular weight of 470.42 g/mol. Its IUPAC name is 5,10-bis[4-(trifluoromethyl)phenyl]phenazine.

Molecular Properties

Compound Name5,10-bis[4-(trifluoromethyl)phenyl]phenazine
PubChem CID129057443
Molecular FormulaC26H16F6N2
Molecular Weight470.42 g/mol
Exact Mass470.12
IUPAC Name5,10-bis[4-(trifluoromethyl)phenyl]phenazine
SMILESFC(F)(F)c1ccc(N2c3ccccc3N(c3ccc(C(F)(F)F)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H16F6N2/c27-25(28,29)17-9-13-19(14-10-17)33-21-5-1-2-6-22(21)34(24-8-4-3-7-23(24)33)20-15-11-18(12-16-20)26(30,31)32/h1-16H
InChIKeyKGCIHVDTVLIHTB-UHFFFAOYSA-N
XLogP8.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis[4-(trifluoromethyl)phenyl]phenazine?
The IUPAC name of 5,10-bis[4-(trifluoromethyl)phenyl]phenazine (CID 129057443) is 5,10-bis[4-(trifluoromethyl)phenyl]phenazine.
What is the SMILES notation for 5,10-bis[4-(trifluoromethyl)phenyl]phenazine?
The canonical SMILES for 5,10-bis[4-(trifluoromethyl)phenyl]phenazine is FC(F)(F)c1ccc(N2c3ccccc3N(c3ccc(C(F)(F)F)cc3)c3ccccc32)cc1.
What is the InChIKey of 5,10-bis[4-(trifluoromethyl)phenyl]phenazine?
The InChIKey is KGCIHVDTVLIHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N2/c27-25(28,29)17-9-13-19(14-10-17)33-21-5-1-2-6-22(21)34(24-8-4-3-7-23(24)33)20-15-11-18(12-16-20)26(30,31)32/h1-16H.
What are the key properties of 5,10-bis[4-(trifluoromethyl)phenyl]phenazine?
5,10-bis[4-(trifluoromethyl)phenyl]phenazine has a molecular weight of 470.42 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis[4-(trifluoromethyl)phenyl]phenazine is sourced from PubChem (CID 129057443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).