4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)

C26H24N2O2Pt — CID 58401325

IUPAC4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1ccnc(-c2[c-]c(C)ccc2)c1.Cc1[c-]c(-c2cc(CO)ccn2)ccc1.[Pt+2]
InChIInChI=1S/2C13H12NO.Pt/c1-10-4-3-5-11(8-10)13-9-12(15-2)6-7-14-13;1-10-3-2-4-12(7-10)13-8-11(9-15)5-6-14-13;/h3-7,9H,1-2H3;2-6,8,15H,9H2,1H3;/q2*-1;+2
InChIKeyPFVFIUBTGBAOHW-UHFFFAOYSA-N
MW591.57 g/mol
LogP5.21
Rot. Bonds4

About 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)

4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+) (PubChem CID 58401325) has the molecular formula C26H24N2O2Pt and a molecular weight of 591.57 g/mol. Its IUPAC name is 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+).

Molecular Properties

Compound Name4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
PubChem CID58401325
Molecular FormulaC26H24N2O2Pt
Molecular Weight591.57 g/mol
Exact Mass591.15
IUPAC Name4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1ccnc(-c2[c-]c(C)ccc2)c1.Cc1[c-]c(-c2cc(CO)ccn2)ccc1.[Pt+2]
InChIInChI=1S/2C13H12NO.Pt/c1-10-4-3-5-11(8-10)13-9-12(15-2)6-7-14-13;1-10-3-2-4-12(7-10)13-8-11(9-15)5-6-14-13;/h3-7,9H,1-2H3;2-6,8,15H,9H2,1H3;/q2*-1;+2
InChIKeyPFVFIUBTGBAOHW-UHFFFAOYSA-N
XLogP5.21
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
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 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
The IUPAC name of 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+) (CID 58401325) is 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+).
What is the SMILES notation for 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
The canonical SMILES for 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+) is COc1ccnc(-c2[c-]c(C)ccc2)c1.Cc1[c-]c(-c2cc(CO)ccn2)ccc1.[Pt+2].
What is the InChIKey of 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
The InChIKey is PFVFIUBTGBAOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12NO.Pt/c1-10-4-3-5-11(8-10)13-9-12(15-2)6-7-14-13;1-10-3-2-4-12(7-10)13-8-11(9-15)5-6-14-13;/h3-7,9H,1-2H3;2-6,8,15H,9H2,1H3;/q2*-1;+2.
What are the key properties of 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?
4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+) has a molecular weight of 591.57 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methylbenzene-2-id-1-yl)pyridine;[2-(3-methylbenzene-2-id-1-yl)-4-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 58401325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).