[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum

C27H24F6NO4Pt- — CID 58401317

About [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum

[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 58401317) has the molecular formula C27H24F6NO4Pt- and a molecular weight of 735.56 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

• Compound Name: [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
• PubChem CID: 58401317
• Molecular Formula: C27H24F6NO4Pt-
• Molecular Weight: 735.56 g/mol
• Exact Mass: 735.13
• IUPAC Name: [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
• SMILES: CC(=O)/C=C(/C)O.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.[Pt]
• InChI: InChI=1S/C22H16F6NO2.C5H8O2.Pt/c1-12-6-16(21(23,24)25)9-18(22(26,27)28)20(12)14-2-3-17(15(8-14)11-31)19-7-13(10-30)4-5-29-19;1-4(6)3-5(2)7;/h2,4-9,30-31H,10-11H2,1H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: RJDVUFBBYGULDU-LWFKIUJUSA-N
• XLogP: 6.58
• TPSA: 90.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.56
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The IUPAC name of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 58401317) is [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum.

What is the SMILES notation for [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The canonical SMILES for [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.[Pt].

What is the InChIKey of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The InChIKey is RJDVUFBBYGULDU-LWFKIUJUSA-N. The full InChI is InChI=1S/C22H16F6NO2.C5H8O2.Pt/c1-12-6-16(21(23,24)25)9-18(22(26,27)28)20(12)14-2-3-17(15(8-14)11-31)19-7-13(10-30)4-5-29-19;1-4(6)3-5(2)7;/h2,4-9,30-31H,10-11H2,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 735.56 g/mol, XLogP of 6.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 58401317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).