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

C35H23F3IrN2-2 — CID 59859337

IUPACiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H15F3N.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-9,11-14H,1H3;1-6,8-9H;/q2*-1;
InChIKeyYGLVHHGFPYLMQQ-UHFFFAOYSA-N
MW720.79 g/mol
LogP9.10
Rot. Bonds2

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

iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine (PubChem CID 59859337) has the molecular formula C35H23F3IrN2-2 and a molecular weight of 720.79 g/mol. Its IUPAC name is iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine
PubChem CID59859337
Molecular FormulaC35H23F3IrN2-2
Molecular Weight720.79 g/mol
Exact Mass721.15
IUPAC Nameiridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H15F3N.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-9,11-14H,1H3;1-6,8-9H;/q2*-1;
InChIKeyYGLVHHGFPYLMQQ-UHFFFAOYSA-N
XLogP9.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.79
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-(3,3-Dimethyl-6-(4-pyridinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50940108
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
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Frequently Asked Questions

What is the IUPAC name of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine?
The IUPAC name of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine (CID 59859337) is iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine.
What is the SMILES notation for iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine?
The canonical SMILES for iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine is CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine?
The InChIKey is YGLVHHGFPYLMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-9,11-14H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine?
iridium;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-phenylpyridine has a molecular weight of 720.79 g/mol, XLogP of 9.10, 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;2-phenylpyridine is sourced from PubChem (CID 59859337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).