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

C30H18N2OPt — CID 153429196

IUPACplatinum(2+);1-[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-c1nccc2ccccc12
InChIInChI=1S/C30H18N2O.Pt/c1-4-13-27-21(8-1)15-17-32-30(27)23-10-7-11-25(19-23)33-29-20-24(28-14-5-6-16-31-28)18-22-9-2-3-12-26(22)29;/h1-18H;/q-2;+2
InChIKeyBLKGWZVCVKSMFV-UHFFFAOYSA-N
MW617.57 g/mol
LogP7.51
Rot. Bonds4

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

platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline (PubChem CID 153429196) has the molecular formula C30H18N2OPt and a molecular weight of 617.57 g/mol. Its IUPAC name is platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline.

Molecular Properties

Compound Nameplatinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
PubChem CID153429196
Molecular FormulaC30H18N2OPt
Molecular Weight617.57 g/mol
Exact Mass617.11
IUPAC Nameplatinum(2+);1-[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-c1nccc2ccccc12
InChIInChI=1S/C30H18N2O.Pt/c1-4-13-27-21(8-1)15-17-32-30(27)23-10-7-11-25(19-23)33-29-20-24(28-14-5-6-16-31-28)18-22-9-2-3-12-26(22)29;/h1-18H;/q-2;+2
InChIKeyBLKGWZVCVKSMFV-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+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
CID 153428922
1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 153428959
CID 159192079
CID 159192079
CID 158958109
CID 158958109
benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))
CID 21024832
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
CID 21024818
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
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
15-[3-[(6-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;platinum(2+)
CID 164939815
platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 164939637

Frequently Asked Questions

What is the IUPAC name of platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
The IUPAC name of platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline (CID 153429196) is platinum(2+);1-[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+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
The canonical SMILES for platinum(2+);1-[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-c1nccc2ccccc12.
What is the InChIKey of platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
The InChIKey is BLKGWZVCVKSMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O.Pt/c1-4-13-27-21(8-1)15-17-32-30(27)23-10-7-11-25(19-23)33-29-20-24(28-14-5-6-16-31-28)18-22-9-2-3-12-26(22)29;/h1-18H;/q-2;+2.
What are the key properties of platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline?
platinum(2+);1-[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+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline is sourced from PubChem (CID 153429196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).