4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)

C47H34N2Pt — CID 153428898

About 4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)

4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) (PubChem CID 153428898) has the molecular formula C47H34N2Pt and a molecular weight of 821.88 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 153428898
• Molecular Formula: C47H34N2Pt
• Molecular Weight: 821.88 g/mol
• Exact Mass: 821.24
• IUPAC Name: 4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5ccccn5)c5ccccc5c4)c4ccccc4-c4ccccc43)cc3ccccc23)c1.[Pt+2]
• InChI: InChI=1S/C47H34N2.Pt/c1-46(2,3)33-23-25-49-45(30-33)41-29-35(27-32-15-5-7-17-37(32)41)47(42-20-10-8-18-38(42)39-19-9-11-21-43(39)47)34-26-31-14-4-6-16-36(31)40(28-34)44-22-12-13-24-48-44;/h4-27,30H,1-3H3;/q-2;+2
• InChIKey: FRYVFADBNAJNHW-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.88
LogP ≤ 5	11.38
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-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) (CID 153428898) is 4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+).

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

The canonical SMILES for 4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5ccccn5)c5ccccc5c4)c4ccccc4-c4ccccc43)cc3ccccc23)c1.[Pt+2].

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

The InChIKey is FRYVFADBNAJNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2.Pt/c1-46(2,3)33-23-25-49-45(30-33)41-29-35(27-32-15-5-7-17-37(32)41)47(42-20-10-8-18-38(42)39-19-9-11-21-43(39)47)34-26-31-14-4-6-16-36(31)40(28-34)44-22-12-13-24-48-44;/h4-27,30H,1-3H3;/q-2;+2.

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

4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) has a molecular weight of 821.88 g/mol, XLogP of 11.38, 4 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-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153428898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).