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

C55H35N2O3Pt- — CID 170524468

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

2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 170524468) has the molecular formula C55H35N2O3Pt- and a molecular weight of 966.97 g/mol. Its IUPAC name is 2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 170524468
• Molecular Formula: C55H35N2O3Pt-
• Molecular Weight: 966.97 g/mol
• Exact Mass: 966.23
• IUPAC Name: 2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: Cc1cc(-c2oc3ccccc3c2-c2ccc3c(c2)oc2c(-c4ccccc4)cccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt]
• InChI: InChI=1S/C55H35N2O3.Pt/c1-34-28-41(32-47(56-34)37-18-12-19-38(29-37)48-30-40(35-14-4-2-5-15-35)31-49(57-48)45-20-8-10-24-50(45)58)54-53(46-21-9-11-25-51(46)59-54)39-26-27-43-44-23-13-22-42(36-16-6-3-7-17-36)55(44)60-52(43)33-39;/h2-28,30-33,58H,1H3;/q-1
• InChIKey: UOCRWROZUFOSDL-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 72.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.97
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 170524468) is 2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

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

The canonical SMILES for 2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is Cc1cc(-c2oc3ccccc3c2-c2ccc3c(c2)oc2c(-c4ccccc4)cccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt].

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

The InChIKey is UOCRWROZUFOSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N2O3.Pt/c1-34-28-41(32-47(56-34)37-18-12-19-38(29-37)48-30-40(35-14-4-2-5-15-35)31-49(57-48)45-20-8-10-24-50(45)58)54-53(46-21-9-11-25-51(46)59-54)39-26-27-43-44-23-13-22-42(36-16-6-3-7-17-36)55(44)60-52(43)33-39;/h2-28,30-33,58H,1H3;/q-1;.

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

2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 966.97 g/mol, XLogP of 14.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170524468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).