4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)

C40H36N2O4Pt — CID 58401826

IUPAC4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1c[c-]c(-c2nccc(CO)c2C)c(-c2ccccc2)c1.COc1c[c-]c(-c2nccc(OC)c2C)c(-c2ccccc2)c1.[Pt+2]
InChIInChI=1S/2C20H18NO2.Pt/c1-14-19(23-3)11-12-21-20(14)17-10-9-16(22-2)13-18(17)15-7-5-4-6-8-15;1-14-16(13-22)10-11-21-20(14)18-9-8-17(23-2)12-19(18)15-6-4-3-5-7-15;/h4-9,11-13H,1-3H3;3-8,10-12,22H,13H2,1-2H3;/q2*-1;+2
InChIKeyBTIJRCBICUAMCK-UHFFFAOYSA-N
MW803.82 g/mol
LogP8.56
Rot. Bonds8

About 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)

4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+) (PubChem CID 58401826) has the molecular formula C40H36N2O4Pt and a molecular weight of 803.82 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+).

Molecular Properties

Compound Name4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)
PubChem CID58401826
Molecular FormulaC40H36N2O4Pt
Molecular Weight803.82 g/mol
Exact Mass803.23
IUPAC Name4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1c[c-]c(-c2nccc(CO)c2C)c(-c2ccccc2)c1.COc1c[c-]c(-c2nccc(OC)c2C)c(-c2ccccc2)c1.[Pt+2]
InChIInChI=1S/2C20H18NO2.Pt/c1-14-19(23-3)11-12-21-20(14)17-10-9-16(22-2)13-18(17)15-7-5-4-6-8-15;1-14-16(13-22)10-11-21-20(14)18-9-8-17(23-2)12-19(18)15-6-4-3-5-7-15;/h4-9,11-13H,1-3H3;3-8,10-12,22H,13H2,1-2H3;/q2*-1;+2
InChIKeyBTIJRCBICUAMCK-UHFFFAOYSA-N
XLogP8.56
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.82
LogP ≤ 58.56
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-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)?
The IUPAC name of 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+) (CID 58401826) is 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+).
What is the SMILES notation for 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)?
The canonical SMILES for 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+) is COc1c[c-]c(-c2nccc(CO)c2C)c(-c2ccccc2)c1.COc1c[c-]c(-c2nccc(OC)c2C)c(-c2ccccc2)c1.[Pt+2].
What is the InChIKey of 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)?
The InChIKey is BTIJRCBICUAMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18NO2.Pt/c1-14-19(23-3)11-12-21-20(14)17-10-9-16(22-2)13-18(17)15-7-5-4-6-8-15;1-14-16(13-22)10-11-21-20(14)18-9-8-17(23-2)12-19(18)15-6-4-3-5-7-15;/h4-9,11-13H,1-3H3;3-8,10-12,22H,13H2,1-2H3;/q2*-1;+2.
What are the key properties of 4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+)?
4-methoxy-2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+) has a molecular weight of 803.82 g/mol, XLogP of 8.56, 8 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-phenylbenzene-6-id-1-yl)-3-methylpyridine;[2-(4-methoxy-2-phenylbenzene-6-id-1-yl)-3-methyl-4-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 58401826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).