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

C32H19F6IrN3O-2 — CID 59422935

IUPACiridium;8-methanidyloxyquinoline;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.[CH2-]Oc1cccc2cccnc12.[Ir]
InChIInChI=1S/C22H11F6N2.C10H8NO.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;1-12-9-6-2-4-8-5-3-7-11-10(8)9;/h1-7,9-12H;2-7H,1H2;/q2*-1;
InChIKeyRFXXMTBAEILFAS-UHFFFAOYSA-N
MW767.73 g/mol
LogP9.20
Rot. Bonds3

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

iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 59422935) has the molecular formula C32H19F6IrN3O-2 and a molecular weight of 767.73 g/mol. Its IUPAC name is iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Nameiridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID59422935
Molecular FormulaC32H19F6IrN3O-2
Molecular Weight767.73 g/mol
Exact Mass768.11
IUPAC Nameiridium;8-methanidyloxyquinoline;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.[CH2-]Oc1cccc2cccnc12.[Ir]
InChIInChI=1S/C22H11F6N2.C10H8NO.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;1-12-9-6-2-4-8-5-3-7-11-10(8)9;/h1-7,9-12H;2-7H,1H2;/q2*-1;
InChIKeyRFXXMTBAEILFAS-UHFFFAOYSA-N
XLogP9.20
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.73
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyrido[3,3-benzoxazine, 3,4-dihydro-3-(2-phenylethyl)-
CID 291307
2-Methyl-8-pyrazin-2-yloxyquinoline
CID 2539875
8-[3-(4-Benzylpiperazin-1-yl)propoxy]quinoline
CID 45269549
1-(4-Methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine
CID 132849958
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095341
8-(Difluoromethoxy)-6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 162664763
8-(Quinolin-8-yloxymethoxy)quinoline
CID 25267858
3-[(4-Fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326318
8-[[4-(Quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
CID 989605
1,2-Bis(8-quinolinoxymethyl)benzene
CID 12090673
8-Methoxy-2-{[4-(3-pyridinyl)-1-piperazinyl]methyl}quinoline
CID 28312308
8-Methoxy-2-{[4-(4-pyridinyl)-1-piperazinyl]methyl}quinoline bis(trifluoroacetate)
CID 28359643

Frequently Asked Questions

What is the IUPAC name of iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline (CID 59422935) is iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for iridium;8-methanidyloxyquinoline;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.[CH2-]Oc1cccc2cccnc12.[Ir].
What is the InChIKey of iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is RFXXMTBAEILFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F6N2.C10H8NO.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;1-12-9-6-2-4-8-5-3-7-11-10(8)9;/h1-7,9-12H;2-7H,1H2;/q2*-1;.
What are the key properties of iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 767.73 g/mol, XLogP of 9.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 59422935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).