2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)

C43H41N3OPt — CID 162461738

About 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)

2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) (PubChem CID 162461738) has the molecular formula C43H41N3OPt and a molecular weight of 810.90 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)
• PubChem CID: 162461738
• Molecular Formula: C43H41N3OPt
• Molecular Weight: 810.90 g/mol
• Exact Mass: 810.29
• IUPAC Name: 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)ccc3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C43H41N3O.Pt/c1-28-23-29(2)46(45-28)33-14-12-16-35(27-33)47-34-15-11-13-32(24-34)43(40-17-9-10-22-44-40)38-25-30(41(3,4)5)18-20-36(38)37-21-19-31(26-39(37)43)42(6,7)8;/h9-23,25-26H,1-8H3;/q-2;+2
• InChIKey: ZGGUIDZYEAQYCI-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.90
LogP ≤ 5	10.23
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 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) (CID 162461738) is 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)ccc3)ccc2)n1.[Pt+2].

What is the InChIKey of 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

The InChIKey is ZGGUIDZYEAQYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41N3O.Pt/c1-28-23-29(2)46(45-28)33-14-12-16-35(27-33)47-34-15-11-13-32(24-34)43(40-17-9-10-22-44-40)38-25-30(41(3,4)5)18-20-36(38)37-21-19-31(26-39(37)43)42(6,7)8;/h9-23,25-26H,1-8H3;/q-2;+2.

What are the key properties of 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) has a molecular weight of 810.90 g/mol, XLogP of 10.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) is sourced from PubChem (CID 162461738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).