isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum

C21H15N2O2Pt- — CID 59015412

IUPACisoquinoline-1-carboxylic acid;2-phenylpyridine;platinum
SMILESO=C(O)c1nccc2ccccc12.[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C10H7NO2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6,8-9H;1-6H,(H,12,13);/q-1;;
InChIKeyXQTQUZLBOVFXNA-UHFFFAOYSA-N
MW522.44 g/mol
LogP4.48
Rot. Bonds2

About isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum

isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum (PubChem CID 59015412) has the molecular formula C21H15N2O2Pt- and a molecular weight of 522.44 g/mol. Its IUPAC name is isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum.

Molecular Properties

Compound Nameisoquinoline-1-carboxylic acid;2-phenylpyridine;platinum
PubChem CID59015412
Molecular FormulaC21H15N2O2Pt-
Molecular Weight522.44 g/mol
Exact Mass522.08
IUPAC Nameisoquinoline-1-carboxylic acid;2-phenylpyridine;platinum
SMILESO=C(O)c1nccc2ccccc12.[Pt].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C10H7NO2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6,8-9H;1-6H,(H,12,13);/q-1;;
InChIKeyXQTQUZLBOVFXNA-UHFFFAOYSA-N
XLogP4.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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bis(1-(4-ethylbenzene-6-id-1-yl)isoquinoline);bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(2-phenylpyridine)
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(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
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CID 158059987
CID 158059987
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
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Frequently Asked Questions

What is the IUPAC name of isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum?
The IUPAC name of isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum (CID 59015412) is isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum.
What is the SMILES notation for isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum?
The canonical SMILES for isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum is O=C(O)c1nccc2ccccc12.[Pt].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum?
The InChIKey is XQTQUZLBOVFXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.C10H7NO2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6,8-9H;1-6H,(H,12,13);/q-1;;.
What are the key properties of isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum?
isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum has a molecular weight of 522.44 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum is sourced from PubChem (CID 59015412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).