2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid

C48H26F15Ir2N3O2-2 — CID 159946956

IUPAC2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
SMILESCC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.FC(F)(F)C1(C(F)(F)F)c2c[c-]c(-c3ccccn3)cc2-c2ccccc21.O=C(O)c1ccccn1.[Ir].[Ir]
InChIInChI=1S/C22H11F9N.C20H10F6N.C6H5NO2.2Ir/c1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;21-19(22,23)18(20(24,25)26)15-6-2-1-5-13(15)14-11-12(8-9-16(14)18)17-7-3-4-10-27-17;8-6(9)5-3-1-2-4-7-5;;/h3-10H,1H3;1-7,9-11H;1-4H,(H,8,9);;/q2*-1;;;
InChIKeyWLISEJILYBDPRY-UHFFFAOYSA-N
MW1346.16 g/mol
LogP14.15
Rot. Bonds3

About 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid

2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid (PubChem CID 159946956) has the molecular formula C48H26F15Ir2N3O2-2 and a molecular weight of 1346.16 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
PubChem CID159946956
Molecular FormulaC48H26F15Ir2N3O2-2
Molecular Weight1346.16 g/mol
Exact Mass1347.11
IUPAC Name2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
SMILESCC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.FC(F)(F)C1(C(F)(F)F)c2c[c-]c(-c3ccccn3)cc2-c2ccccc21.O=C(O)c1ccccn1.[Ir].[Ir]
InChIInChI=1S/C22H11F9N.C20H10F6N.C6H5NO2.2Ir/c1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;21-19(22,23)18(20(24,25)26)15-6-2-1-5-13(15)14-11-12(8-9-16(14)18)17-7-3-4-10-27-17;8-6(9)5-3-1-2-4-7-5;;/h3-10H,1H3;1-7,9-11H;1-4H,(H,8,9);;/q2*-1;;;
InChIKeyWLISEJILYBDPRY-UHFFFAOYSA-N
XLogP14.15
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001346.16
LogP ≤ 514.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
The IUPAC name of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid (CID 159946956) is 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
The canonical SMILES for 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid is CC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.FC(F)(F)C1(C(F)(F)F)c2c[c-]c(-c3ccccn3)cc2-c2ccccc21.O=C(O)c1ccccn1.[Ir].[Ir].
What is the InChIKey of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
The InChIKey is WLISEJILYBDPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F9N.C20H10F6N.C6H5NO2.2Ir/c1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;21-19(22,23)18(20(24,25)26)15-6-2-1-5-13(15)14-11-12(8-9-16(14)18)17-7-3-4-10-27-17;8-6(9)5-3-1-2-4-7-5;;/h3-10H,1H3;1-7,9-11H;1-4H,(H,8,9);;/q2*-1;;;.
What are the key properties of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid has a molecular weight of 1346.16 g/mol, XLogP of 14.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]pyridine;bis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 159946956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).