2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C48H33N2O2Pt- — CID 170524476

About 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 170524476) has the molecular formula C48H33N2O2Pt- and a molecular weight of 864.88 g/mol. Its IUPAC name is 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 170524476
• Molecular Formula: C48H33N2O2Pt-
• Molecular Weight: 864.88 g/mol
• Exact Mass: 864.22
• IUPAC Name: 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: Cc1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4cccc(C)c4O)n3)ccc2)n1.[Pt]
• InChI: InChI=1S/C48H33N2O2.Pt/c1-30-13-9-24-42(46(30)51)45-28-36(32-14-5-3-6-15-32)27-44(50-45)35-19-10-18-34(26-35)43-29-37(25-31(2)49-43)39-21-12-23-41-40-22-11-20-38(47(40)52-48(39)41)33-16-7-4-8-17-33;/h3-25,27-29,51H,1-2H3;/q-1
• InChIKey: COHJSYMYZMRPIG-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.88
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 170524476) is 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is Cc1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4cccc(C)c4O)n3)ccc2)n1.[Pt].

What is the InChIKey of 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The InChIKey is COHJSYMYZMRPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N2O2.Pt/c1-30-13-9-24-42(46(30)51)45-28-36(32-14-5-3-6-15-32)27-44(50-45)35-19-10-18-34(26-35)43-29-37(25-31(2)49-43)39-21-12-23-41-40-22-11-20-38(47(40)52-48(39)41)33-16-7-4-8-17-33;/h3-25,27-29,51H,1-2H3;/q-1;.

What are the key properties of 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 864.88 g/mol, XLogP of 12.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170524476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).