4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)

C55H47N3Pt — CID 155614478

About 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)

4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+) (PubChem CID 155614478) has the molecular formula C55H47N3Pt and a molecular weight of 945.08 g/mol. Its IUPAC name is 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)
• PubChem CID: 155614478
• Molecular Formula: C55H47N3Pt
• Molecular Weight: 945.08 g/mol
• Exact Mass: 944.34
• IUPAC Name: 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)
• SMILES: Cn1cc(C2(c3cc(C(C)(C)C)cc(C4(c5[c-]cccc5)c5ccccc5-c5ccccc54)n3)c3ccccc3-c3ccccc32)nc1-c1[c-]ccc(C(C)(C)C)c1.[Pt+2]
• InChI: InChI=1S/C55H47N3.Pt/c1-52(2,3)38-23-19-20-36(32-38)51-57-50(35-58(51)7)55(46-30-17-13-26-42(46)43-27-14-18-31-47(43)55)49-34-39(53(4,5)6)33-48(56-49)54(37-21-9-8-10-22-37)44-28-15-11-24-40(44)41-25-12-16-29-45(41)54;/h8-19,21,23-35H,1-7H3;/q-2;+2
• InChIKey: RADXUUUXWOVTJC-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.08
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)?

The IUPAC name of 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+) (CID 155614478) is 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+).

What is the SMILES notation for 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)?

The canonical SMILES for 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+) is Cn1cc(C2(c3cc(C(C)(C)C)cc(C4(c5[c-]cccc5)c5ccccc5-c5ccccc54)n3)c3ccccc3-c3ccccc32)nc1-c1[c-]ccc(C(C)(C)C)c1.[Pt+2].

What is the InChIKey of 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)?

The InChIKey is RADXUUUXWOVTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N3.Pt/c1-52(2,3)38-23-19-20-36(32-38)51-57-50(35-58(51)7)55(46-30-17-13-26-42(46)43-27-14-18-31-47(43)55)49-34-39(53(4,5)6)33-48(56-49)54(37-21-9-8-10-22-37)44-28-15-11-24-40(44)41-25-12-16-29-45(41)54;/h8-19,21,23-35H,1-7H3;/q-2;+2.

What are the key properties of 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)?

4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+) has a molecular weight of 945.08 g/mol, XLogP of 12.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+) is sourced from PubChem (CID 155614478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).