9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine

C17H10F3N3 — CID 126705435

IUPAC9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine
SMILESNc1c2cc(C(F)(F)F)ccc2nc2c1ccc1cccnc12
InChIInChI=1S/C17H10F3N3/c18-17(19,20)10-4-6-13-12(8-10)14(21)11-5-3-9-2-1-7-22-15(9)16(11)23-13/h1-8H,(H2,21,23)
InChIKeyGDGPPBYVJBXJGN-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.54
Rot. Bonds

About 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine

9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine (PubChem CID 126705435) has the molecular formula C17H10F3N3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine.

Molecular Properties

Compound Name9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine
PubChem CID126705435
Molecular FormulaC17H10F3N3
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine
SMILESNc1c2cc(C(F)(F)F)ccc2nc2c1ccc1cccnc12
InChIInChI=1S/C17H10F3N3/c18-17(19,20)10-4-6-13-12(8-10)14(21)11-5-3-9-2-1-7-22-15(9)16(11)23-13/h1-8H,(H2,21,23)
InChIKeyGDGPPBYVJBXJGN-UHFFFAOYSA-N
XLogP4.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
CID 83399919
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
copper(1+);1,1,1,2,2-pentafluoroethane;1,10-phenanthroline
CID 118415323
3-(trifluoromethyl)-2H-pyrazolo[4,3-h]quinoline
CID 102451668
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine?
The IUPAC name of 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine (CID 126705435) is 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine.
What is the SMILES notation for 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine?
The canonical SMILES for 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine is Nc1c2cc(C(F)(F)F)ccc2nc2c1ccc1cccnc12.
What is the InChIKey of 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine?
The InChIKey is GDGPPBYVJBXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3/c18-17(19,20)10-4-6-13-12(8-10)14(21)11-5-3-9-2-1-7-22-15(9)16(11)23-13/h1-8H,(H2,21,23).
What are the key properties of 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine?
9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine has a molecular weight of 313.28 g/mol, XLogP of 4.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine is sourced from PubChem (CID 126705435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).