(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

C28H33N2O3Pt- — CID 58401626

About (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

(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 (PubChem CID 58401626) has the molecular formula C28H33N2O3Pt- and a molecular weight of 640.66 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 58401626
• Molecular Formula: C28H33N2O3Pt-
• Molecular Weight: 640.66 g/mol
• Exact Mass: 640.21
• IUPAC Name: (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
• SMILES: CC(=O)/C=C(/C)O.CNCc1ccnc(-c2[c-]cc(OC)cc2-c2c(C)cc(C)cc2C)c1.[Pt]
• InChI: InChI=1S/C23H25N2O.C5H8O2.Pt/c1-15-10-16(2)23(17(3)11-15)21-13-19(26-5)6-7-20(21)22-12-18(14-24-4)8-9-25-22;1-4(6)3-5(2)7;/h6,8-13,24H,14H2,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: LERHYVFNVRPIEE-LWFKIUJUSA-N
• XLogP: 5.90
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.66
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
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 (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC(=O)/C=C(/C)O.CNCc1ccnc(-c2[c-]cc(OC)cc2-c2c(C)cc(C)cc2C)c1.[Pt].

What is the InChIKey of (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?

The InChIKey is LERHYVFNVRPIEE-LWFKIUJUSA-N. The full InChI is InChI=1S/C23H25N2O.C5H8O2.Pt/c1-15-10-16(2)23(17(3)11-15)21-13-19(26-5)6-7-20(21)22-12-18(14-24-4)8-9-25-22;1-4(6)3-5(2)7;/h6,8-13,24H,14H2,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of (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?

(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 has a molecular weight of 640.66 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 58401626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).