2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum

C53H33N2O2PtS- — CID 170524470

About 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum

2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum (PubChem CID 170524470) has the molecular formula C53H33N2O2PtS- and a molecular weight of 957.00 g/mol. Its IUPAC name is 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum
• PubChem CID: 170524470
• Molecular Formula: C53H33N2O2PtS-
• Molecular Weight: 957.00 g/mol
• Exact Mass: 956.19
• IUPAC Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum
• SMILES: Cc1cc(-c2sc(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccc5ccccc5c4O)n3)ccc2)n1.[Pt]
• InChI: InChI=1S/C53H33N2O2S.Pt/c1-32-26-39(53-44-20-8-7-19-43(44)52(58-53)37-23-24-42-41-18-9-10-21-49(41)57-50(42)31-37)30-46(54-32)35-15-11-16-36(27-35)47-28-38(33-12-3-2-4-13-33)29-48(55-47)45-25-22-34-14-5-6-17-40(34)51(45)56;/h2-26,28-31,56H,1H3;/q-1
• InChIKey: GQFFNQKDPHYLMN-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.00
LogP ≤ 5	14.56
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-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum?

The IUPAC name of 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum (CID 170524470) is 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum.

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

The canonical SMILES for 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum is Cc1cc(-c2sc(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccc5ccccc5c4O)n3)ccc2)n1.[Pt].

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

The InChIKey is GQFFNQKDPHYLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N2O2S.Pt/c1-32-26-39(53-44-20-8-7-19-43(44)52(58-53)37-23-24-42-41-18-9-10-21-49(41)57-50(42)31-37)30-46(54-32)35-15-11-16-36(27-35)47-28-38(33-12-3-2-4-13-33)29-48(55-47)45-25-22-34-14-5-6-17-40(34)51(45)56;/h2-26,28-31,56H,1H3;/q-1;.

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

2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum has a molecular weight of 957.00 g/mol, XLogP of 14.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]naphthalen-1-ol;platinum is sourced from PubChem (CID 170524470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).