(Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum

C29H32F3N2O2Pt- — CID 58401445

About (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum

(Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum (PubChem CID 58401445) has the molecular formula C29H32F3N2O2Pt- and a molecular weight of 692.66 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum.

Molecular Properties

• Compound Name: (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum
• PubChem CID: 58401445
• Molecular Formula: C29H32F3N2O2Pt-
• Molecular Weight: 692.66 g/mol
• Exact Mass: 692.21
• IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum
• SMILES: CC(=O)/C=C(/C)O.CNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2-c2c(C)cc(C)cc2C)c1.[Pt]
• InChI: InChI=1S/C24H24F3N2.C5H8O2.Pt/c1-14-8-15(2)22(16(3)9-14)23-17(4)10-19(24(25,26)27)12-20(23)21-11-18(13-28-5)6-7-29-21;1-4(6)3-5(2)7;/h6-11,28H,13H2,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: JGVOKFHJYBEELU-LWFKIUJUSA-N
• XLogP: 7.22
• TPSA: 62.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.66
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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 (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum?

The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum (CID 58401445) is (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum.

What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum?

The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum is CC(=O)/C=C(/C)O.CNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2-c2c(C)cc(C)cc2C)c1.[Pt].

What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum?

The InChIKey is JGVOKFHJYBEELU-LWFKIUJUSA-N. The full InChI is InChI=1S/C24H24F3N2.C5H8O2.Pt/c1-14-8-15(2)22(16(3)9-14)23-17(4)10-19(24(25,26)27)12-20(23)21-11-18(13-28-5)6-7-29-21;1-4(6)3-5(2)7;/h6-11,28H,13H2,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum?

(Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum has a molecular weight of 692.66 g/mol, XLogP of 7.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-4-hydroxypent-3-en-2-one;N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum is sourced from PubChem (CID 58401445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).