6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine

C22H13F3N2 — CID 127033744

IUPAC6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine
SMILESFC(F)(F)c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C22H13F3N2/c23-22(24,25)15-9-7-13(8-10-15)20-17-12-14-4-1-2-5-16(14)19(17)21-18(27-20)6-3-11-26-21/h1-11H,12H2
InChIKeyIYUBAWLZIXFZGT-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.89
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine

6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine (PubChem CID 127033744) has the molecular formula C22H13F3N2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine
PubChem CID127033744
Molecular FormulaC22H13F3N2
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine
SMILESFC(F)(F)c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C22H13F3N2/c23-22(24,25)15-9-7-13(8-10-15)20-17-12-14-4-1-2-5-16(14)19(17)21-18(27-20)6-3-11-26-21/h1-11H,12H2
InChIKeyIYUBAWLZIXFZGT-UHFFFAOYSA-N
XLogP5.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine (CID 127033744) is 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine is FC(F)(F)c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine?
The InChIKey is IYUBAWLZIXFZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N2/c23-22(24,25)15-9-7-13(8-10-15)20-17-12-14-4-1-2-5-16(14)19(17)21-18(27-20)6-3-11-26-21/h1-11H,12H2.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine?
6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine has a molecular weight of 362.35 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine is sourced from PubChem (CID 127033744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).