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]-5-phenylphenol;platinum

C55H35N2O2PtS- — CID 170524311

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]-5-phenylphenol;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]-5-phenylphenol;platinum (PubChem CID 170524311) has the molecular formula C55H35N2O2PtS- and a molecular weight of 983.04 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]-5-phenylphenol;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]-5-phenylphenol;platinum
• PubChem CID: 170524311
• Molecular Formula: C55H35N2O2PtS-
• Molecular Weight: 983.04 g/mol
• Exact Mass: 982.21
• 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]-5-phenylphenol;platinum
• SMILES: Cc1cc(-c2sc(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4O)n3)ccc2)n1.[Pt]
• InChI: InChI=1S/C55H35N2O2S.Pt/c1-34-27-42(55-46-21-9-8-20-45(46)54(60-55)40-24-25-44-43-19-10-11-22-52(43)59-53(44)33-40)31-48(56-34)38-17-12-18-39(28-38)49-29-41(36-15-6-3-7-16-36)30-50(57-49)47-26-23-37(32-51(47)58)35-13-4-2-5-14-35;/h2-27,29-33,58H,1H3;/q-1
• InChIKey: ZHPVJFZUDMYDGX-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 59.15 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	983.04
LogP ≤ 5	15.07
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]-5-phenylphenol;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]-5-phenylphenol;platinum (CID 170524311) 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]-5-phenylphenol;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]-5-phenylphenol;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]-5-phenylphenol;platinum is Cc1cc(-c2sc(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4O)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]-5-phenylphenol;platinum?

The InChIKey is ZHPVJFZUDMYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N2O2S.Pt/c1-34-27-42(55-46-21-9-8-20-45(46)54(60-55)40-24-25-44-43-19-10-11-22-52(43)59-53(44)33-40)31-48(56-34)38-17-12-18-39(28-38)49-29-41(36-15-6-3-7-16-36)30-50(57-49)47-26-23-37(32-51(47)58)35-13-4-2-5-14-35;/h2-27,29-33,58H,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]-5-phenylphenol;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]-5-phenylphenol;platinum has a molecular weight of 983.04 g/mol, XLogP of 15.07, 7 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]-5-phenylphenol;platinum is sourced from PubChem (CID 170524311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).