platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine

C52H30N2OPtS — CID 164939637

About platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine

platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 164939637) has the molecular formula C52H30N2OPtS and a molecular weight of 925.97 g/mol. Its IUPAC name is platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
• PubChem CID: 164939637
• Molecular Formula: C52H30N2OPtS
• Molecular Weight: 925.97 g/mol
• Exact Mass: 925.17
• IUPAC Name: platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(-c3nccc4c3sc3cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)ccc34)ccc2)cccc1-c1ccccn1
• InChI: InChI=1S/C52H30N2OS.Pt/c1-2-16-40-39(15-1)41-17-3-4-19-43(41)45-24-22-33(31-48(45)44-20-6-5-18-42(40)44)34-23-25-46-47-26-28-54-51(52(47)56-50(46)32-34)36-12-10-14-38(30-36)55-37-13-9-11-35(29-37)49-21-7-8-27-53-49;/h1-28,31-32H;/q-2;+2/b41-39-,42-40-,45-43-,48-44-
• InChIKey: RELGLPSJTGEKQO-QNKBAKOISA-N
• XLogP: 14.22
• TPSA: 35.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.97
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	0
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 platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?

The IUPAC name of platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine (CID 164939637) is platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine.

What is the SMILES notation for platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?

The canonical SMILES for platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine is [Pt+2].[c-]1c(Oc2[c-]c(-c3nccc4c3sc3cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)ccc34)ccc2)cccc1-c1ccccn1.

What is the InChIKey of platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?

The InChIKey is RELGLPSJTGEKQO-QNKBAKOISA-N. The full InChI is InChI=1S/C52H30N2OS.Pt/c1-2-16-40-39(15-1)41-17-3-4-19-43(41)45-24-22-33(31-48(45)44-20-6-5-18-42(40)44)34-23-25-46-47-26-28-54-51(52(47)56-50(46)32-34)36-12-10-14-38(30-36)55-37-13-9-11-35(29-37)49-21-7-8-27-53-49;/h1-28,31-32H;/q-2;+2/b41-39-,42-40-,45-43-,48-44-;.

What are the key properties of platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?

platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 925.97 g/mol, XLogP of 14.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);1-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 164939637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).