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

C44H44N2O4Pt — CID 58401865

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

4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) (PubChem CID 58401865) has the molecular formula C44H44N2O4Pt and a molecular weight of 859.92 g/mol. Its IUPAC name is 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+).

Molecular Properties

• Compound Name: 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)
• PubChem CID: 58401865
• Molecular Formula: C44H44N2O4Pt
• Molecular Weight: 859.92 g/mol
• Exact Mass: 859.29
• IUPAC Name: 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)
• SMILES: COc1c[c-]c(-c2cc(CO)ccn2)c(-c2c(C)cc(C)cc2C)c1.COc1ccnc(-c2[c-]cc(OC)cc2-c2c(C)cc(C)cc2C)c1.[Pt+2]
• InChI: InChI=1S/2C22H22NO2.Pt/c1-14-10-15(2)22(16(3)11-14)20-12-17(24-4)6-7-19(20)21-13-18(25-5)8-9-23-21;1-14-9-15(2)22(16(3)10-14)20-12-18(25-4)5-6-19(20)21-11-17(13-24)7-8-23-21;/h6,8-13H,1-5H3;5,7-12,24H,13H2,1-4H3;/q2*-1;+2
• InChIKey: SKVRQHXVYHKTOT-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 73.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.92
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?

The IUPAC name of 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) (CID 58401865) is 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+).

What is the SMILES notation for 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?

The canonical SMILES for 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) is COc1c[c-]c(-c2cc(CO)ccn2)c(-c2c(C)cc(C)cc2C)c1.COc1ccnc(-c2[c-]cc(OC)cc2-c2c(C)cc(C)cc2C)c1.[Pt+2].

What is the InChIKey of 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?

The InChIKey is SKVRQHXVYHKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22NO2.Pt/c1-14-10-15(2)22(16(3)11-14)20-12-17(24-4)6-7-19(20)21-13-18(25-5)8-9-23-21;1-14-9-15(2)22(16(3)10-14)20-12-18(25-4)5-6-19(20)21-11-17(13-24)7-8-23-21;/h6,8-13H,1-5H3;5,7-12,24H,13H2,1-4H3;/q2*-1;+2.

What are the key properties of 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?

4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) has a molecular weight of 859.92 g/mol, XLogP of 9.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 58401865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).