[2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)

C42H40N2O4Pt — CID 58401484

IUPAC[2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
SMILESCOc1ccnc(-c2[c-]cc(-c3c(C)cccc3C)cc2OC)c1.Cc1cccc(C)c1-c1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.[Pt+2]
InChIInChI=1S/2C21H20NO2.Pt/c1-14-6-5-7-15(2)21(14)16-8-9-18(20(12-16)24-4)19-13-17(23-3)10-11-22-19;1-14-4-3-5-15(2)21(14)17-6-7-19(18(11-17)13-24)20-10-16(12-23)8-9-22-20;/h5-8,10-13H,1-4H3;3-6,8-11,23-24H,12-13H2,1-2H3;/q2*-1;+2
InChIKeyMMVZXKUJAUAUJV-UHFFFAOYSA-N
MW831.87 g/mol
LogP8.66
Rot. Bonds8

About [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)

[2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) (PubChem CID 58401484) has the molecular formula C42H40N2O4Pt and a molecular weight of 831.87 g/mol. Its IUPAC name is [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+).

Molecular Properties

Compound Name[2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
PubChem CID58401484
Molecular FormulaC42H40N2O4Pt
Molecular Weight831.87 g/mol
Exact Mass831.26
IUPAC Name[2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
SMILESCOc1ccnc(-c2[c-]cc(-c3c(C)cccc3C)cc2OC)c1.Cc1cccc(C)c1-c1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.[Pt+2]
InChIInChI=1S/2C21H20NO2.Pt/c1-14-6-5-7-15(2)21(14)16-8-9-18(20(12-16)24-4)19-13-17(23-3)10-11-22-19;1-14-4-3-5-15(2)21(14)17-6-7-19(18(11-17)13-24)20-10-16(12-23)8-9-22-20;/h5-8,10-13H,1-4H3;3-6,8-11,23-24H,12-13H2,1-2H3;/q2*-1;+2
InChIKeyMMVZXKUJAUAUJV-UHFFFAOYSA-N
XLogP8.66
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.87
LogP ≤ 58.66
H-Bond Donors ≤ 52
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 [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
The IUPAC name of [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) (CID 58401484) is [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+).
What is the SMILES notation for [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
The canonical SMILES for [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) is COc1ccnc(-c2[c-]cc(-c3c(C)cccc3C)cc2OC)c1.Cc1cccc(C)c1-c1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.[Pt+2].
What is the InChIKey of [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
The InChIKey is MMVZXKUJAUAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20NO2.Pt/c1-14-6-5-7-15(2)21(14)16-8-9-18(20(12-16)24-4)19-13-17(23-3)10-11-22-19;1-14-4-3-5-15(2)21(14)17-6-7-19(18(11-17)13-24)20-10-16(12-23)8-9-22-20;/h5-8,10-13H,1-4H3;3-6,8-11,23-24H,12-13H2,1-2H3;/q2*-1;+2.
What are the key properties of [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
[2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) has a molecular weight of 831.87 g/mol, XLogP of 8.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,6-dimethylphenyl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(2,6-dimethylphenyl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) is sourced from PubChem (CID 58401484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).