bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol

C43H28F8Ir2N4O2-2 — CID 158262844

IUPACbis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol
SMILESCc1ccc2cccc(O)c2n1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Oc1cccc2cccnc12.[Ir].[Ir]
InChIInChI=1S/2C12H6F4N.C10H9NO.C9H7NO.2Ir/c2*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;;/h2*1,3-7H;2-6,12H,1H3;1-6,11H;;/q2*-1;;;;
InChIKeyWLUVCALOYCGOHA-UHFFFAOYSA-N
MW1169.14 g/mol
LogP11.60
Rot. Bonds2

About bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol

bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol (PubChem CID 158262844) has the molecular formula C43H28F8Ir2N4O2-2 and a molecular weight of 1169.14 g/mol. Its IUPAC name is bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol.

Molecular Properties

Compound Namebis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol
PubChem CID158262844
Molecular FormulaC43H28F8Ir2N4O2-2
Molecular Weight1169.14 g/mol
Exact Mass1170.14
IUPAC Namebis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol
SMILESCc1ccc2cccc(O)c2n1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Oc1cccc2cccnc12.[Ir].[Ir]
InChIInChI=1S/2C12H6F4N.C10H9NO.C9H7NO.2Ir/c2*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;;/h2*1,3-7H;2-6,12H,1H3;1-6,11H;;/q2*-1;;;;
InChIKeyWLUVCALOYCGOHA-UHFFFAOYSA-N
XLogP11.60
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.14
LogP ≤ 511.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Copper quinolate
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Diisopropoxybis(chinoline-8-olato)titanium(IV)
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Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
8-Hydroxyquinoline zinc
CID 16717640
2,2-Bis(2-fluoro-3-pyridinyl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139140158

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol?
The IUPAC name of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol (CID 158262844) is bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol.
What is the SMILES notation for bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol?
The canonical SMILES for bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol is Cc1ccc2cccc(O)c2n1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Oc1cccc2cccnc12.[Ir].[Ir].
What is the InChIKey of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol?
The InChIKey is WLUVCALOYCGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H6F4N.C10H9NO.C9H7NO.2Ir/c2*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;;/h2*1,3-7H;2-6,12H,1H3;1-6,11H;;/q2*-1;;;;.
What are the key properties of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol?
bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol has a molecular weight of 1169.14 g/mol, XLogP of 11.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol is sourced from PubChem (CID 158262844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).