4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum

C25H17N3O2Pt — CID 155610131

IUPAC4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum
SMILESOc1cnccc1-c1cc2ccccc2c(/C=N/c2cccc3cccc(O)c23)n1.[Pt]
InChIInChI=1S/C25H17N3O2.Pt/c29-23-10-4-7-16-6-3-9-20(25(16)23)27-14-22-18-8-2-1-5-17(18)13-21(28-22)19-11-12-26-15-24(19)30;/h1-15,29-30H;/b27-14+;
InChIKeyYCCBESRCYVZDMV-RRIBZKRYSA-N
MW586.51 g/mol
LogP5.61
Rot. Bonds3

About 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum

4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum (PubChem CID 155610131) has the molecular formula C25H17N3O2Pt and a molecular weight of 586.51 g/mol. Its IUPAC name is 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum.

Molecular Properties

Compound Name4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum
PubChem CID155610131
Molecular FormulaC25H17N3O2Pt
Molecular Weight586.51 g/mol
Exact Mass586.10
IUPAC Name4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum
SMILESOc1cnccc1-c1cc2ccccc2c(/C=N/c2cccc3cccc(O)c23)n1.[Pt]
InChIInChI=1S/C25H17N3O2.Pt/c29-23-10-4-7-16-6-3-9-20(25(16)23)27-14-22-18-8-2-1-5-17(18)13-21(28-22)19-11-12-26-15-24(19)30;/h1-15,29-30H;/b27-14+;
InChIKeyYCCBESRCYVZDMV-RRIBZKRYSA-N
XLogP5.61
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.51
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum?
The IUPAC name of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum (CID 155610131) is 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum.
What is the SMILES notation for 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum?
The canonical SMILES for 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum is Oc1cnccc1-c1cc2ccccc2c(/C=N/c2cccc3cccc(O)c23)n1.[Pt].
What is the InChIKey of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum?
The InChIKey is YCCBESRCYVZDMV-RRIBZKRYSA-N. The full InChI is InChI=1S/C25H17N3O2.Pt/c29-23-10-4-7-16-6-3-9-20(25(16)23)27-14-22-18-8-2-1-5-17(18)13-21(28-22)19-11-12-26-15-24(19)30;/h1-15,29-30H;/b27-14+;.
What are the key properties of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum?
4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum has a molecular weight of 586.51 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum is sourced from PubChem (CID 155610131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).