platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine

C33H20N2OPtS — CID 162461918

About platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine

platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine (PubChem CID 162461918) has the molecular formula C33H20N2OPtS and a molecular weight of 687.68 g/mol. Its IUPAC name is platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine.

Molecular Properties

• Compound Name: platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine
• PubChem CID: 162461918
• Molecular Formula: C33H20N2OPtS
• Molecular Weight: 687.68 g/mol
• Exact Mass: 687.09
• IUPAC Name: platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(-c3ccccn3)cs2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C33H20N2OS.Pt/c1-3-14-28-26(12-1)27-13-2-4-15-29(27)33(28,31-17-6-8-19-35-31)24-10-9-11-25(21-24)36-32-20-23(22-37-32)30-16-5-7-18-34-30;/h1-19,22H;/q-2;+2
• InChIKey: BSOUWRDGGRRNJQ-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 35.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.68
LogP ≤ 5	7.96
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+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine?

The IUPAC name of platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine (CID 162461918) is platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine.

What is the SMILES notation for platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine?

The canonical SMILES for platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine is [Pt+2].[c-]1c(Oc2[c-]c(-c3ccccn3)cs2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.

What is the InChIKey of platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine?

The InChIKey is BSOUWRDGGRRNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2OS.Pt/c1-3-14-28-26(12-1)27-13-2-4-15-29(27)33(28,31-17-6-8-19-35-31)24-10-9-11-25(21-24)36-32-20-23(22-37-32)30-16-5-7-18-34-30;/h1-19,22H;/q-2;+2.

What are the key properties of platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine?

platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine has a molecular weight of 687.68 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine is sourced from PubChem (CID 162461918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).