2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C46H32N3OPtS- — CID 170524234

About 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 170524234) has the molecular formula C46H32N3OPtS- and a molecular weight of 869.93 g/mol. Its IUPAC name is 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 170524234
• Molecular Formula: C46H32N3OPtS-
• Molecular Weight: 869.93 g/mol
• Exact Mass: 869.19
• IUPAC Name: 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: Cc1cc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)n2C)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt]
• InChI: InChI=1S/C46H32N3OS.Pt/c1-29-23-35(43-22-21-42(49(43)2)33-19-20-37-36-15-7-9-18-45(36)51-46(37)28-33)27-39(47-29)31-13-10-14-32(24-31)40-25-34(30-11-4-3-5-12-30)26-41(48-40)38-16-6-8-17-44(38)50;/h3-23,25-28,50H,1-2H3;/q-1
• InChIKey: KGCWLZZGEZEGAE-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.93
LogP ≤ 5	12.00
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-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 170524234) is 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is Cc1cc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)n2C)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt].

What is the InChIKey of 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The InChIKey is KGCWLZZGEZEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N3OS.Pt/c1-29-23-35(43-22-21-42(49(43)2)33-19-20-37-36-15-7-9-18-45(36)51-46(37)28-33)27-39(47-29)31-13-10-14-32(24-31)40-25-34(30-11-4-3-5-12-30)26-41(48-40)38-16-6-8-17-44(38)50;/h3-23,25-28,50H,1-2H3;/q-1;.

What are the key properties of 2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 869.93 g/mol, XLogP of 12.00, 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-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170524234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).