4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)

C28H28N2O4Pt — CID 58401400

IUPAC4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1c[c-]c(-c2cc(CO)ccn2)c(C)c1.COc1ccnc(-c2[c-]cc(OC)cc2C)c1.[Pt+2]
InChIInChI=1S/2C14H14NO2.Pt/c1-10-8-11(16-2)4-5-13(10)14-9-12(17-3)6-7-15-14;1-10-7-12(17-2)3-4-13(10)14-8-11(9-16)5-6-15-14;/h4,6-9H,1-3H3;3,5-8,16H,9H2,1-2H3;/q2*-1;+2
InChIKeyWTATYXAZOIMTEX-UHFFFAOYSA-N
MW651.62 g/mol
LogP5.23
Rot. Bonds6

About 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)

4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) (PubChem CID 58401400) has the molecular formula C28H28N2O4Pt and a molecular weight of 651.62 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+).

Molecular Properties

Compound Name4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
PubChem CID58401400
Molecular FormulaC28H28N2O4Pt
Molecular Weight651.62 g/mol
Exact Mass651.17
IUPAC Name4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1c[c-]c(-c2cc(CO)ccn2)c(C)c1.COc1ccnc(-c2[c-]cc(OC)cc2C)c1.[Pt+2]
InChIInChI=1S/2C14H14NO2.Pt/c1-10-8-11(16-2)4-5-13(10)14-9-12(17-3)6-7-15-14;1-10-7-12(17-2)3-4-13(10)14-8-11(9-16)5-6-15-14;/h4,6-9H,1-3H3;3,5-8,16H,9H2,1-2H3;/q2*-1;+2
InChIKeyWTATYXAZOIMTEX-UHFFFAOYSA-N
XLogP5.23
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.62
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
The IUPAC name of 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) (CID 58401400) is 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+).
What is the SMILES notation for 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
The canonical SMILES for 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) is COc1c[c-]c(-c2cc(CO)ccn2)c(C)c1.COc1ccnc(-c2[c-]cc(OC)cc2C)c1.[Pt+2].
What is the InChIKey of 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
The InChIKey is WTATYXAZOIMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14NO2.Pt/c1-10-8-11(16-2)4-5-13(10)14-9-12(17-3)6-7-15-14;1-10-7-12(17-2)3-4-13(10)14-8-11(9-16)5-6-15-14;/h4,6-9H,1-3H3;3,5-8,16H,9H2,1-2H3;/q2*-1;+2.
What are the key properties of 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) has a molecular weight of 651.62 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;[2-(4-methoxy-2-methylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 58401400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).