4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)

C55H46N2Pt — CID 153429172

About 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)

4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) (PubChem CID 153429172) has the molecular formula C55H46N2Pt and a molecular weight of 930.07 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 153429172
• Molecular Formula: C55H46N2Pt
• Molecular Weight: 930.07 g/mol
• Exact Mass: 929.33
• IUPAC Name: 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)cc(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc(-c3ccccc3)c2)c1.[Pt+2]
• InChI: InChI=1S/C55H46N2.Pt/c1-53(2,3)43-25-27-56-51(35-43)41-29-39(37-17-9-7-10-18-37)31-45(33-41)55(49-23-15-13-21-47(49)48-22-14-16-24-50(48)55)46-32-40(38-19-11-8-12-20-38)30-42(34-46)52-36-44(26-28-57-52)54(4,5)6;/h7-32,35-36H,1-6H3;/q-2;+2
• InChIKey: GGBWRYVFTLFVPD-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.07
LogP ≤ 5	13.70
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 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) (CID 153429172) is 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+).

What is the SMILES notation for 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)?

The canonical SMILES for 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)cc(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc(-c3ccccc3)c2)c1.[Pt+2].

What is the InChIKey of 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)?

The InChIKey is GGBWRYVFTLFVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2.Pt/c1-53(2,3)43-25-27-56-51(35-43)41-29-39(37-17-9-7-10-18-37)31-45(33-41)55(49-23-15-13-21-47(49)48-22-14-16-24-50(48)55)46-32-40(38-19-11-8-12-20-38)30-42(34-46)52-36-44(26-28-57-52)54(4,5)6;/h7-32,35-36H,1-6H3;/q-2;+2.

What are the key properties of 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)?

4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) has a molecular weight of 930.07 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153429172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).