platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline

C30H18N2OPt — CID 153428922

IUPACplatinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
SMILES[Pt+2].[c-]1c(Oc2[c-]c(-c3ccccn3)cc3ccccc23)cccc1-c1cc2ccccc2cn1
InChIInChI=1S/C30H18N2O.Pt/c1-2-10-24-20-32-29(18-21(24)8-1)23-11-7-12-26(17-23)33-30-19-25(28-14-5-6-15-31-28)16-22-9-3-4-13-27(22)30;/h1-16,18,20H;/q-2;+2
InChIKeyOVNJMKASFLCCQL-UHFFFAOYSA-N
MW617.57 g/mol
LogP7.51
Rot. Bonds4

About platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline

platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline (PubChem CID 153428922) has the molecular formula C30H18N2OPt and a molecular weight of 617.57 g/mol. Its IUPAC name is platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline.

Molecular Properties

Compound Nameplatinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
PubChem CID153428922
Molecular FormulaC30H18N2OPt
Molecular Weight617.57 g/mol
Exact Mass617.11
IUPAC Nameplatinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
SMILES[Pt+2].[c-]1c(Oc2[c-]c(-c3ccccn3)cc3ccccc23)cccc1-c1cc2ccccc2cn1
InChIInChI=1S/C30H18N2O.Pt/c1-2-10-24-20-32-29(18-21(24)8-1)23-11-7-12-26(17-23)33-30-19-25(28-14-5-6-15-31-28)16-22-9-3-4-13-27(22)30;/h1-16,18,20H;/q-2;+2
InChIKeyOVNJMKASFLCCQL-UHFFFAOYSA-N
XLogP7.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.57
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
CID 153429196
CID 159192079
CID 159192079
iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+)
CID 156674281
1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 153428959
CID 164721112
CID 164721112
4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153429120
2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451616
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;1-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]isoquinoline;3-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]isoquinoline;6-(4-tert-butyl-2-pyridinyl)-8-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-7H-quinolin-7-ide;2-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-naphthalen-3-id-2-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;pentakis(platinum(2+))
CID 158430680
1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum
CID 165161309
CID 164721118
CID 164721118
2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)
CID 166496346
3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline
CID 153428799

Frequently Asked Questions

What is the IUPAC name of platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
The IUPAC name of platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline (CID 153428922) is platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline.
What is the SMILES notation for platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
The canonical SMILES for platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline is [Pt+2].[c-]1c(Oc2[c-]c(-c3ccccn3)cc3ccccc23)cccc1-c1cc2ccccc2cn1.
What is the InChIKey of platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
The InChIKey is OVNJMKASFLCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O.Pt/c1-2-10-24-20-32-29(18-21(24)8-1)23-11-7-12-26(17-23)33-30-19-25(28-14-5-6-15-31-28)16-22-9-3-4-13-27(22)30;/h1-16,18,20H;/q-2;+2.
What are the key properties of platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline has a molecular weight of 617.57 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline is sourced from PubChem (CID 153428922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).