2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium

C34H30IrN5O2- — CID 135975769

IUPAC2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium
SMILESCC(C)(C)c1cc(-c2ccccn2)[n-]n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir]
InChIInChI=1S/C22H16N2O2.C12H14N3.Ir/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;/h1-14,25-26H;4-8H,1-3H3;/q;-1;
InChIKeyRHQPUJZPLFMVBN-UHFFFAOYSA-N
MW732.86 g/mol
LogP7.28
Rot. Bonds4

About 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium

2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium (PubChem CID 135975769) has the molecular formula C34H30IrN5O2- and a molecular weight of 732.86 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium.

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium
PubChem CID135975769
Molecular FormulaC34H30IrN5O2-
Molecular Weight732.86 g/mol
Exact Mass733.20
IUPAC Name2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium
SMILESCC(C)(C)c1cc(-c2ccccn2)[n-]n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir]
InChIInChI=1S/C22H16N2O2.C12H14N3.Ir/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;/h1-14,25-26H;4-8H,1-3H3;/q;-1;
InChIKeyRHQPUJZPLFMVBN-UHFFFAOYSA-N
XLogP7.28
TPSA106.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.86
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium?
The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium (CID 135975769) is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium.
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium is CC(C)(C)c1cc(-c2ccccn2)[n-]n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Ir].
What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium?
The InChIKey is RHQPUJZPLFMVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.C12H14N3.Ir/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;/h1-14,25-26H;4-8H,1-3H3;/q;-1;.
What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium?
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium has a molecular weight of 732.86 g/mol, XLogP of 7.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;iridium is sourced from PubChem (CID 135975769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).