2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)

C31H28N2Pt+2 — CID 58661038

IUPAC2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)
SMILES[CH2-]c1ccccc1-c1c2ccccc2cc[n+]1[CH2-].[CH2-]c1ccccc1-c1cc(C)cc[n+]1[CH2-].[Pt+4]
InChIInChI=1S/C17H14N.C14H14N.Pt/c1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-11-8-9-15(3)14(10-11)13-7-5-4-6-12(13)2;/h3-12H,1-2H2;4-10H,2-3H2,1H3;/q2*-1;+4
InChIKeyQEJMEHBAOPAEQF-UHFFFAOYSA-N
MW623.66 g/mol
LogP6.39
Rot. Bonds2

About 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)

2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+) (PubChem CID 58661038) has the molecular formula C31H28N2Pt+2 and a molecular weight of 623.66 g/mol. Its IUPAC name is 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+).

Molecular Properties

Compound Name2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)
PubChem CID58661038
Molecular FormulaC31H28N2Pt+2
Molecular Weight623.66 g/mol
Exact Mass623.19
IUPAC Name2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)
SMILES[CH2-]c1ccccc1-c1c2ccccc2cc[n+]1[CH2-].[CH2-]c1ccccc1-c1cc(C)cc[n+]1[CH2-].[Pt+4]
InChIInChI=1S/C17H14N.C14H14N.Pt/c1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-11-8-9-15(3)14(10-11)13-7-5-4-6-12(13)2;/h3-12H,1-2H2;4-10H,2-3H2,1H3;/q2*-1;+4
InChIKeyQEJMEHBAOPAEQF-UHFFFAOYSA-N
XLogP6.39
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.66
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)?
The IUPAC name of 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+) (CID 58661038) is 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+).
What is the SMILES notation for 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)?
The canonical SMILES for 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+) is [CH2-]c1ccccc1-c1c2ccccc2cc[n+]1[CH2-].[CH2-]c1ccccc1-c1cc(C)cc[n+]1[CH2-].[Pt+4].
What is the InChIKey of 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)?
The InChIKey is QEJMEHBAOPAEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N.C14H14N.Pt/c1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-11-8-9-15(3)14(10-11)13-7-5-4-6-12(13)2;/h3-12H,1-2H2;4-10H,2-3H2,1H3;/q2*-1;+4.
What are the key properties of 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)?
2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+) has a molecular weight of 623.66 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+) is sourced from PubChem (CID 58661038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).