(N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)

C24H20N4OPt — CID 153419238

IUPAC(N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1Oc1cccc(N(C[N-]Cc2ccccn2)c2ccccc2)n1
InChIInChI=1S/C24H20N4O.Pt/c1-3-11-21(12-4-1)28(19-25-18-20-10-7-8-17-26-20)23-15-9-16-24(27-23)29-22-13-5-2-6-14-22;/h1-13,15-17H,18-19H2;/q-2;+2
InChIKeyDCTYZZRCFUIKRP-UHFFFAOYSA-N
MW575.53 g/mol
LogP5.74
Rot. Bonds8

About (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)

(N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+) (PubChem CID 153419238) has the molecular formula C24H20N4OPt and a molecular weight of 575.53 g/mol. Its IUPAC name is (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+).

Molecular Properties

Compound Name(N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)
PubChem CID153419238
Molecular FormulaC24H20N4OPt
Molecular Weight575.53 g/mol
Exact Mass575.13
IUPAC Name(N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1Oc1cccc(N(C[N-]Cc2ccccn2)c2ccccc2)n1
InChIInChI=1S/C24H20N4O.Pt/c1-3-11-21(12-4-1)28(19-25-18-20-10-7-8-17-26-20)23-15-9-16-24(27-23)29-22-13-5-2-6-14-22;/h1-13,15-17H,18-19H2;/q-2;+2
InChIKeyDCTYZZRCFUIKRP-UHFFFAOYSA-N
XLogP5.74
TPSA52.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)?
The IUPAC name of (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+) (CID 153419238) is (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+).
What is the SMILES notation for (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)?
The canonical SMILES for (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+) is [Pt+2].[c-]1ccccc1Oc1cccc(N(C[N-]Cc2ccccn2)c2ccccc2)n1.
What is the InChIKey of (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)?
The InChIKey is DCTYZZRCFUIKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O.Pt/c1-3-11-21(12-4-1)28(19-25-18-20-10-7-8-17-26-20)23-15-9-16-24(27-23)29-22-13-5-2-6-14-22;/h1-13,15-17H,18-19H2;/q-2;+2.
What are the key properties of (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+)?
(N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+) has a molecular weight of 575.53 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-[6-(phenoxy)-2-pyridinyl]anilino)methyl-(pyridin-2-ylmethyl)azanide;platinum(2+) is sourced from PubChem (CID 153419238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).