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

C39H25F3IrN2-2 — CID 59859370

IUPACiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[c-]1ccccc1-c1cc2ccccc2cn1
InChIInChI=1S/C24H15F3N.C15H10N.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;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;/h2-9,11-14H,1H3;1-6,8-11H;/q2*-1;
InChIKeyDHFOICLTYPAYFX-UHFFFAOYSA-N
MW770.85 g/mol
LogP10.25
Rot. Bonds2

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

iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline (PubChem CID 59859370) has the molecular formula C39H25F3IrN2-2 and a molecular weight of 770.85 g/mol. Its IUPAC name is iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline.

Molecular Properties

Compound Nameiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline
PubChem CID59859370
Molecular FormulaC39H25F3IrN2-2
Molecular Weight770.85 g/mol
Exact Mass771.16
IUPAC Nameiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[c-]1ccccc1-c1cc2ccccc2cn1
InChIInChI=1S/C24H15F3N.C15H10N.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;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;/h2-9,11-14H,1H3;1-6,8-11H;/q2*-1;
InChIKeyDHFOICLTYPAYFX-UHFFFAOYSA-N
XLogP10.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.85
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

1-(4-Fluoro-phenyl)-3-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-butyl}-1H-indole
CID 10049124
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
2-Isoquinolin-3-ylquinoline
CID 620696
8-fluoro-5-(4-fluorophenyl)-2-(4-quinolin-4-ylbutyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 13900391
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
8-fluoro-5-(4-fluorophenyl)-2-(2-quinolin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54586686
2-Methyl-5-[7-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)heptyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186425
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427
1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-butyl}-1H-indole
CID 15205887
1H-Indole-2-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45272392
1H-Indole-7-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45273258
4-(3,3-Dimethyl-6-(4-pyridinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50940108

Frequently Asked Questions

What is the IUPAC name of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline?
The IUPAC name of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline (CID 59859370) is iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline.
What is the SMILES notation for iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline?
The canonical SMILES for iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline is CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.
What is the InChIKey of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline?
The InChIKey is DHFOICLTYPAYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N.C15H10N.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;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;/h2-9,11-14H,1H3;1-6,8-11H;/q2*-1;.
What are the key properties of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline?
iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline has a molecular weight of 770.85 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 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;3-phenylisoquinoline is sourced from PubChem (CID 59859370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).