platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol

C35H21N4OPtS- — CID 166511770

About platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol

platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol (PubChem CID 166511770) has the molecular formula C35H21N4OPtS- and a molecular weight of 740.73 g/mol. Its IUPAC name is platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol
• PubChem CID: 166511770
• Molecular Formula: C35H21N4OPtS-
• Molecular Weight: 740.73 g/mol
• Exact Mass: 740.11
• IUPAC Name: platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol
• SMILES: Oc1ccccc1-c1cccc(C2(c3[c-]c(-c4nccc5nsnc45)ccc3)c3ccccc3-c3ccccc32)n1.[Pt]
• InChI: InChI=1S/C35H21N4OS.Pt/c40-31-17-6-3-13-26(31)29-16-8-18-32(37-29)35(27-14-4-1-11-24(27)25-12-2-5-15-28(25)35)23-10-7-9-22(21-23)33-34-30(19-20-36-33)38-41-39-34;/h1-20,40H;/q-1
• InChIKey: BRJQXFUNCPNCHP-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 71.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.73
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol?

The IUPAC name of platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol (CID 166511770) is platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol.

What is the SMILES notation for platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol?

The canonical SMILES for platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol is Oc1ccccc1-c1cccc(C2(c3[c-]c(-c4nccc5nsnc45)ccc3)c3ccccc3-c3ccccc32)n1.[Pt].

What is the InChIKey of platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol?

The InChIKey is BRJQXFUNCPNCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N4OS.Pt/c40-31-17-6-3-13-26(31)29-16-8-18-32(37-29)35(27-14-4-1-11-24(27)25-12-2-5-15-28(25)35)23-10-7-9-22(21-23)33-34-30(19-20-36-33)38-41-39-34;/h1-20,40H;/q-1;.

What are the key properties of platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol?

platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol has a molecular weight of 740.73 g/mol, XLogP of 7.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 166511770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).