iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol

C66H49F9IrN10O3 — CID 25033171

IUPACiridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol
SMILESCC(C)Oc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c2ccccc12.CC(C)Oc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c2ccccc12.FC(F)(F)c1ccc2nn(-c3cccc4ccccc34)nc2c1.Oc1cccc2cccnc12.[Ir]
InChIInChI=1S/2C20H16F3N3O.C17H10F3N3.C9H7NO.Ir/c2*1-12(2)27-19-10-9-18(14-5-3-4-6-15(14)19)26-24-16-8-7-13(20(21,22)23)11-17(16)25-26;18-17(19,20)12-8-9-14-15(10-12)22-23(21-14)16-7-3-5-11-4-1-2-6-13(11)16;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*3-12H,1-2H3;1-10H;1-6,11H;
InChIKeyOBHPJNWBWISUIA-UHFFFAOYSA-N
MW1393.38 g/mol
LogP17.29
Rot. Bonds7

About iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol

iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol (PubChem CID 25033171) has the molecular formula C66H49F9IrN10O3 and a molecular weight of 1393.38 g/mol. Its IUPAC name is iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol.

Molecular Properties

Compound Nameiridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol
PubChem CID25033171
Molecular FormulaC66H49F9IrN10O3
Molecular Weight1393.38 g/mol
Exact Mass1393.35
IUPAC Nameiridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol
SMILESCC(C)Oc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c2ccccc12.CC(C)Oc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c2ccccc12.FC(F)(F)c1ccc2nn(-c3cccc4ccccc34)nc2c1.Oc1cccc2cccnc12.[Ir]
InChIInChI=1S/2C20H16F3N3O.C17H10F3N3.C9H7NO.Ir/c2*1-12(2)27-19-10-9-18(14-5-3-4-6-15(14)19)26-24-16-8-7-13(20(21,22)23)11-17(16)25-26;18-17(19,20)12-8-9-14-15(10-12)22-23(21-14)16-7-3-5-11-4-1-2-6-13(11)16;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*3-12H,1-2H3;1-10H;1-6,11H;
InChIKeyOBHPJNWBWISUIA-UHFFFAOYSA-N
XLogP17.29
TPSA143.71 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001393.38
LogP ≤ 517.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Related Compounds

1-(2-Hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]isoquinolin-5-ol
CID 57874279
iridium;methane;bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);quinolin-8-ol;bis(1,1,1-trifluoroethane)
CID 158842182
iridium;bis(2-(4-propan-2-yloxy-2H-naphthalen-2-id-1-yl)benzotriazole);quinolin-8-ol
CID 59307529
iridium;bis(2-(4-methoxy-2H-naphthalen-2-id-1-yl)benzotriazole);quinolin-8-ol
CID 59307549
iridium;methane;bis(2-(4-propan-2-yloxy-2H-naphthalen-2-id-1-yl)benzotriazole);quinolin-8-ol
CID 160275518
Iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate
CID 25032413

Frequently Asked Questions

What is the IUPAC name of iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol?
The IUPAC name of iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol (CID 25033171) is iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol.
What is the SMILES notation for iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol?
The canonical SMILES for iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol is CC(C)Oc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c2ccccc12.CC(C)Oc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c2ccccc12.FC(F)(F)c1ccc2nn(-c3cccc4ccccc34)nc2c1.Oc1cccc2cccnc12.[Ir].
What is the InChIKey of iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol?
The InChIKey is OBHPJNWBWISUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16F3N3O.C17H10F3N3.C9H7NO.Ir/c2*1-12(2)27-19-10-9-18(14-5-3-4-6-15(14)19)26-24-16-8-7-13(20(21,22)23)11-17(16)25-26;18-17(19,20)12-8-9-14-15(10-12)22-23(21-14)16-7-3-5-11-4-1-2-6-13(11)16;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*3-12H,1-2H3;1-10H;1-6,11H;.
What are the key properties of iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol?
iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol has a molecular weight of 1393.38 g/mol, XLogP of 17.29, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol is sourced from PubChem (CID 25033171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).