2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium

C24H13F5IrN- — CID 59859380

IUPAC2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium
SMILESCC1(C(F)(F)F)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2cc(F)cc(F)c21.[Ir]
InChIInChI=1S/C24H13F5N.Ir/c1-23(24(27,28)29)18-10-14(21-9-7-13-4-2-3-5-20(13)30-21)6-8-16(18)17-11-15(25)12-19(26)22(17)23;/h2-5,7-12H,1H3;/q-1;
InChIKeyWMIPDGKGZHNVFE-UHFFFAOYSA-N
MW602.58 g/mol
LogP6.83
Rot. Bonds1

About 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium

2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium (PubChem CID 59859380) has the molecular formula C24H13F5IrN- and a molecular weight of 602.58 g/mol. Its IUPAC name is 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium.

Molecular Properties

Compound Name2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium
PubChem CID59859380
Molecular FormulaC24H13F5IrN-
Molecular Weight602.58 g/mol
Exact Mass603.06
IUPAC Name2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium
SMILESCC1(C(F)(F)F)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2cc(F)cc(F)c21.[Ir]
InChIInChI=1S/C24H13F5N.Ir/c1-23(24(27,28)29)18-10-14(21-9-7-13-4-2-3-5-20(13)30-21)6-8-16(18)17-11-15(25)12-19(26)22(17)23;/h2-5,7-12H,1H3;/q-1;
InChIKeyWMIPDGKGZHNVFE-UHFFFAOYSA-N
XLogP6.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.58
LogP ≤ 56.83
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

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
8-Fluoro-2-methyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225000
8-Fluoro-2-methyl-5-[2-(4-trifluoromethylphenyl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225002
1-Methylacridine
CID 89973
1-(2-fluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 2816010
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-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium?
The IUPAC name of 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium (CID 59859380) is 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium.
What is the SMILES notation for 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium?
The canonical SMILES for 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium is CC1(C(F)(F)F)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2cc(F)cc(F)c21.[Ir].
What is the InChIKey of 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium?
The InChIKey is WMIPDGKGZHNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F5N.Ir/c1-23(24(27,28)29)18-10-14(21-9-7-13-4-2-3-5-20(13)30-21)6-8-16(18)17-11-15(25)12-19(26)22(17)23;/h2-5,7-12H,1H3;/q-1;.
What are the key properties of 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium?
2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium has a molecular weight of 602.58 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;iridium is sourced from PubChem (CID 59859380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).