2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium

C24H12F6IrN- — CID 59859321

IUPAC2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium
SMILESFC(F)(F)C1(C(F)(F)F)c2c[c-]c(-c3ccc4ccccc4n3)cc2-c2ccccc21.[Ir]
InChIInChI=1S/C24H12F6N.Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-13-15(9-11-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;/h1-8,10-13H;/q-1;
InChIKeyAXJGGJNTYPUWJX-UHFFFAOYSA-N
MW620.57 g/mol
LogP7.09
Rot. Bonds1

About 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium

2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium (PubChem CID 59859321) has the molecular formula C24H12F6IrN- and a molecular weight of 620.57 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium.

Molecular Properties

Compound Name2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium
PubChem CID59859321
Molecular FormulaC24H12F6IrN-
Molecular Weight620.57 g/mol
Exact Mass621.05
IUPAC Name2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium
SMILESFC(F)(F)C1(C(F)(F)F)c2c[c-]c(-c3ccc4ccccc4n3)cc2-c2ccccc21.[Ir]
InChIInChI=1S/C24H12F6N.Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-13-15(9-11-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;/h1-8,10-13H;/q-1;
InChIKeyAXJGGJNTYPUWJX-UHFFFAOYSA-N
XLogP7.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.57
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylquinoline
CID 71545
(E)-2-Styrylquinoline
CID 5357469
9-Phenylcarbazole
CID 70851
11H-Indeno[1,2-b]quinoline
CID 67485
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
9-Phenylacridine
CID 69041
4-methyl-2-[(Z)-2-phenylethenyl]quinoline
CID 5758227
2-[(E)-2-(2-fluorophenyl)ethenyl]quinoline
CID 5763302
1-Methylacridine
CID 89973
9-Propylacridine
CID 606114
4-Methyl-2-phenylquinoline
CID 20919
Phenanthridine, 6-phenyl-
CID 137692

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium?
The IUPAC name of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium (CID 59859321) is 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium.
What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium?
The canonical SMILES for 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium is FC(F)(F)C1(C(F)(F)F)c2c[c-]c(-c3ccc4ccccc4n3)cc2-c2ccccc21.[Ir].
What is the InChIKey of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium?
The InChIKey is AXJGGJNTYPUWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N.Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-13-15(9-11-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;/h1-8,10-13H;/q-1;.
What are the key properties of 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium?
2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium has a molecular weight of 620.57 g/mol, XLogP of 7.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(trifluoromethyl)-2H-fluoren-2-id-3-yl]quinoline;iridium is sourced from PubChem (CID 59859321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).