iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline

C31H18F6IrN3O- — CID 58672275

IUPACiridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.Oc1cccc2cccnc12.[Ir]
InChIInChI=1S/C22H11F6N2.C9H7NO.Ir/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-7,9-12H;1-6,11H;/q-1;;
InChIKeyNHKCNFAQRJQMHI-UHFFFAOYSA-N
MW754.71 g/mol
LogP8.74
Rot. Bonds2

About iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline

iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 58672275) has the molecular formula C31H18F6IrN3O- and a molecular weight of 754.71 g/mol. Its IUPAC name is iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Nameiridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID58672275
Molecular FormulaC31H18F6IrN3O-
Molecular Weight754.71 g/mol
Exact Mass755.10
IUPAC Nameiridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.Oc1cccc2cccnc12.[Ir]
InChIInChI=1S/C22H11F6N2.C9H7NO.Ir/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-7,9-12H;1-6,11H;/q-1;;
InChIKeyNHKCNFAQRJQMHI-UHFFFAOYSA-N
XLogP8.74
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.71
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline 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

Cunilate
CID 56840841
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730
Unii-8KG95Q2dqh
CID 25268906
GNF-Pf-3485
CID 2904976
7-[(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3878766
7-[[4-[(8-Hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 1351544
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977
7-((4-Fluorophenyl)(4-methylpiperazin-1-yl)methyl)quinolin-8-ol
CID 3637025
5-[[(8-Hydroxyquinolin-5-yl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-8-ol
CID 25268907
5-[[(8-Hydroxyquinolin-5-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-8-ol
CID 45112556
5,5'-[[[3,5-Bis(trifluoromethyl)benzyl]imino]bismethylene]bis(quinoline-8-ol)
CID 45112557
7-[(4-Fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
CID 58533644

Frequently Asked Questions

What is the IUPAC name of iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline (CID 58672275) is iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline is FC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.Oc1cccc2cccnc12.[Ir].
What is the InChIKey of iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is NHKCNFAQRJQMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F6N2.C9H7NO.Ir/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-7,9-12H;1-6,11H;/q-1;;.
What are the key properties of iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 754.71 g/mol, XLogP of 8.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 58672275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).