iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline

C25H14F6IrN- — CID 59859327

IUPACiridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESCC1(C(F)(F)F)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2ccc(C(F)(F)F)cc21.[Ir]
InChIInChI=1S/C25H14F6N.Ir/c1-23(25(29,30)31)19-12-15(22-11-7-14-4-2-3-5-21(14)32-22)6-9-17(19)18-10-8-16(13-20(18)23)24(26,27)28;/h2-5,7-13H,1H3;/q-1;
InChIKeyNQSAUOSSPWUEPK-UHFFFAOYSA-N
MW634.60 g/mol
LogP7.57
Rot. Bonds1

About iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline

iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (PubChem CID 59859327) has the molecular formula C25H14F6IrN- and a molecular weight of 634.60 g/mol. Its IUPAC name is iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.

Molecular Properties

Compound Nameiridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
PubChem CID59859327
Molecular FormulaC25H14F6IrN-
Molecular Weight634.60 g/mol
Exact Mass635.07
IUPAC Nameiridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESCC1(C(F)(F)F)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2ccc(C(F)(F)F)cc21.[Ir]
InChIInChI=1S/C25H14F6N.Ir/c1-23(25(29,30)31)19-12-15(22-11-7-14-4-2-3-5-21(14)32-22)6-9-17(19)18-10-8-16(13-20(18)23)24(26,27)28;/h2-5,7-13H,1H3;/q-1;
InChIKeyNQSAUOSSPWUEPK-UHFFFAOYSA-N
XLogP7.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.60
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benz(c)acridine
CID 9181
7-Methylbenz(c)acridine
CID 76861
7,9-Dimethylbenz(c)acridine
CID 13757
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
7,10-Dimethylbenz(c)acridine
CID 16936
Benzo[h]quinoline, 2,4-dimethyl-
CID 610182
2-(P-Tolyl)quinoline
CID 613021
2-Mesitylquinoline
CID 4193971
2,8-dimethyl-5-[4-(trifluoromethyl)phenethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126327
8-Fluoro-2-methyl-5-[2-(4-trifluoromethylphenyl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225002
2-Phenylbenzo(h)quinoline
CID 3669703
7-(3-Fluorophenyl)-2-methylquinoline
CID 44432661

Frequently Asked Questions

What is the IUPAC name of iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The IUPAC name of iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (CID 59859327) is iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.
What is the SMILES notation for iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The canonical SMILES for iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is CC1(C(F)(F)F)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2ccc(C(F)(F)F)cc21.[Ir].
What is the InChIKey of iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The InChIKey is NQSAUOSSPWUEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F6N.Ir/c1-23(25(29,30)31)19-12-15(22-11-7-14-4-2-3-5-21(14)32-22)6-9-17(19)18-10-8-16(13-20(18)23)24(26,27)28;/h2-5,7-13H,1H3;/q-1;.
What are the key properties of iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline has a molecular weight of 634.60 g/mol, XLogP of 7.57, 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-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is sourced from PubChem (CID 59859327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).