2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)

C31H30N2Pt — CID 153433360

About 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)

2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 153433360) has the molecular formula C31H30N2Pt and a molecular weight of 625.67 g/mol. Its IUPAC name is 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 153433360
• Molecular Formula: C31H30N2Pt
• Molecular Weight: 625.67 g/mol
• Exact Mass: 625.21
• IUPAC Name: 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)
• SMILES: CC(C)(c1[c-]c2c(cc1)C(C)(C)c1ccc(C(C)(C)c3ccccn3)[c-]c1-2)c1ccccn1.[Pt+2]
• InChI: InChI=1S/C31H30N2.Pt/c1-29(2,27-11-7-9-17-32-27)21-13-15-25-23(19-21)24-20-22(14-16-26(24)31(25,5)6)30(3,4)28-12-8-10-18-33-28;/h7-18H,1-6H3;/q-2;+2
• InChIKey: NPOGDGXEVTVWFI-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.67
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+) (CID 153433360) is 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+) is CC(C)(c1[c-]c2c(cc1)C(C)(C)c1ccc(C(C)(C)c3ccccn3)[c-]c1-2)c1ccccn1.[Pt+2].

What is the InChIKey of 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)?

The InChIKey is NPOGDGXEVTVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2.Pt/c1-29(2,27-11-7-9-17-32-27)21-13-15-25-23(19-21)24-20-22(14-16-26(24)31(25,5)6)30(3,4)28-12-8-10-18-33-28;/h7-18H,1-6H3;/q-2;+2.

What are the key properties of 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+)?

2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 625.67 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[9,9-dimethyl-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrofluorene-4,5-diid-3-yl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153433360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).