[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum

C22H22NO2Pt- — CID 58401251

IUPAC[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
SMILESCc1cc(C)c(-c2c[c-]c(-c3cc(CO)ccn3)c(CO)c2)c(C)c1.[Pt]
InChIInChI=1S/C22H22NO2.Pt/c1-14-8-15(2)22(16(3)9-14)18-4-5-20(19(11-18)13-25)21-10-17(12-24)6-7-23-21;/h4,6-11,24-25H,12-13H2,1-3H3;/q-1;
InChIKeyVFFCDNOYCBMEJE-UHFFFAOYSA-N
MW527.50 g/mol
LogP4.12
Rot. Bonds4

About [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum

[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum (PubChem CID 58401251) has the molecular formula C22H22NO2Pt- and a molecular weight of 527.50 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
PubChem CID58401251
Molecular FormulaC22H22NO2Pt-
Molecular Weight527.50 g/mol
Exact Mass527.13
IUPAC Name[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
SMILESCc1cc(C)c(-c2c[c-]c(-c3cc(CO)ccn3)c(CO)c2)c(C)c1.[Pt]
InChIInChI=1S/C22H22NO2.Pt/c1-14-8-15(2)22(16(3)9-14)18-4-5-20(19(11-18)13-25)21-10-17(12-24)6-7-23-21;/h4,6-11,24-25H,12-13H2,1-3H3;/q-1;
InChIKeyVFFCDNOYCBMEJE-UHFFFAOYSA-N
XLogP4.12
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
CID 58401881
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol
CID 58401318
[2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 58401452
(Z)-4-hydroxypent-3-en-2-one;1-[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum
CID 58401626
4-[4-(hydroxymethyl)-2-pyridinyl]-3-methylphenol
CID 136623405
iridium;[5-methoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;pyridine-2-carboxylic acid
CID 58401447
[2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 58401761
2-bromo-4-(2,4,6-trimethylphenyl)pyridine
CID 168984492
platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
CID 58939495
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
[2-[4-(aminomethyl)phenyl]-4-pyridinyl]methanol
CID 150361039

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?
The IUPAC name of [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum (CID 58401251) is [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum.
What is the SMILES notation for [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?
The canonical SMILES for [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum is Cc1cc(C)c(-c2c[c-]c(-c3cc(CO)ccn3)c(CO)c2)c(C)c1.[Pt].
What is the InChIKey of [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?
The InChIKey is VFFCDNOYCBMEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2.Pt/c1-14-8-15(2)22(16(3)9-14)18-4-5-20(19(11-18)13-25)21-10-17(12-24)6-7-23-21;/h4,6-11,24-25H,12-13H2,1-3H3;/q-1;.
What are the key properties of [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?
[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum has a molecular weight of 527.50 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum is sourced from PubChem (CID 58401251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).