iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate

C43H32IrN7O3- — CID 25032413

IUPACiridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate
SMILESCOc1ccc(-n2nc3ccccc3n2)c2ccccc12.COc1ccc(-n2nc3ccccc3n2)c2ccccc12.[Ir].[O-]c1cccc2cccnc12
InChIInChI=1S/2C17H13N3O.C9H7NO.Ir/c2*1-21-17-11-10-16(12-6-2-3-7-13(12)17)20-18-14-8-4-5-9-15(14)19-20;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*2-11H,1H3;1-6,11H;/p-1
InChIKeyPKLJFEXRDWENNH-UHFFFAOYSA-M
MW886.99 g/mol
LogP8.47
Rot. Bonds4

About iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate

iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate (PubChem CID 25032413) has the molecular formula C43H32IrN7O3- and a molecular weight of 886.99 g/mol. Its IUPAC name is iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate.

Molecular Properties

Compound Nameiridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate
PubChem CID25032413
Molecular FormulaC43H32IrN7O3-
Molecular Weight886.99 g/mol
Exact Mass887.22
IUPAC Nameiridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate
SMILESCOc1ccc(-n2nc3ccccc3n2)c2ccccc12.COc1ccc(-n2nc3ccccc3n2)c2ccccc12.[Ir].[O-]c1cccc2cccnc12
InChIInChI=1S/2C17H13N3O.C9H7NO.Ir/c2*1-21-17-11-10-16(12-6-2-3-7-13(12)17)20-18-14-8-4-5-9-15(14)19-20;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*2-11H,1H3;1-6,11H;/p-1
InChIKeyPKLJFEXRDWENNH-UHFFFAOYSA-M
XLogP8.47
TPSA115.83 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.99
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-Benzyl-2-(4-methoxyphenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-olate
CID 44348251
1-(6-Fluoro-3-pyridinyl)-7-methoxy-3-(2-methylindazol-4-yl)indazole
CID 166054977
Iridium;2-naphthalen-1-yl-5-(trifluoromethyl)benzotriazole;bis(2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole);quinolin-8-ol
CID 25033171
1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 20852824
6-Methoxy-1-(4-methoxyphenyl)-3-propylpyrazolo[4,3-c]quinoline
CID 86202117
6-Methoxy-2-(4-methoxyphenyl)-3-propylpyrazolo[4,3-c]quinoline
CID 86202131
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;bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);quinolin-8-ol
CID 59307553
3-(Benzotriazol-1-yl)-8-methoxyquinoline
CID 71027896
4-(4-Methoxyphenyl)-7-pyren-1-yl-2-pyridin-4-ylbenzotriazole
CID 89456147
4-(2-Methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole
CID 89461263

Frequently Asked Questions

What is the IUPAC name of iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate?
The IUPAC name of iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate (CID 25032413) is iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate.
What is the SMILES notation for iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate?
The canonical SMILES for iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate is COc1ccc(-n2nc3ccccc3n2)c2ccccc12.COc1ccc(-n2nc3ccccc3n2)c2ccccc12.[Ir].[O-]c1cccc2cccnc12.
What is the InChIKey of iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate?
The InChIKey is PKLJFEXRDWENNH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C17H13N3O.C9H7NO.Ir/c2*1-21-17-11-10-16(12-6-2-3-7-13(12)17)20-18-14-8-4-5-9-15(14)19-20;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*2-11H,1H3;1-6,11H;/p-1.
What are the key properties of iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate?
iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate has a molecular weight of 886.99 g/mol, XLogP of 8.47, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(2-(4-methoxynaphthalen-1-yl)benzotriazole);quinolin-8-olate is sourced from PubChem (CID 25032413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).