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

C24H15F3IrN- — CID 59859349

IUPACiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir]
InChIInChI=1S/C24H15F3N.Ir/c1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;/h2-9,11-14H,1H3;/q-1;
InChIKeyGBOYOEWGZWNORE-UHFFFAOYSA-N
MW566.60 g/mol
LogP6.55
Rot. Bonds1

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

iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (PubChem CID 59859349) has the molecular formula C24H15F3IrN- and a molecular weight of 566.60 g/mol. Its IUPAC name is iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.

Molecular Properties

Compound Nameiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
PubChem CID59859349
Molecular FormulaC24H15F3IrN-
Molecular Weight566.60 g/mol
Exact Mass567.08
IUPAC Nameiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir]
InChIInChI=1S/C24H15F3N.Ir/c1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;/h2-9,11-14H,1H3;/q-1;
InChIKeyGBOYOEWGZWNORE-UHFFFAOYSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.60
LogP ≤ 56.55
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
9-Methylacridine
CID 11913
(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
2-(P-Tolyl)quinoline
CID 613021
2-Mesitylquinoline
CID 4193971
2-Methyl-7-phenylquinoline
CID 44427376
4-methyl-2-[(Z)-2-phenylethenyl]quinoline
CID 5758227
2-[(E)-2-(2-fluorophenyl)ethenyl]quinoline
CID 5763302

Frequently Asked Questions

What is the IUPAC name of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The IUPAC name of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (CID 59859349) is iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.
What is the SMILES notation for iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The canonical SMILES for iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].
What is the InChIKey of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The InChIKey is GBOYOEWGZWNORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N.Ir/c1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;/h2-9,11-14H,1H3;/q-1;.
What are the key properties of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline has a molecular weight of 566.60 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is sourced from PubChem (CID 59859349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).