4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)

C38H46N2OPt — CID 153428839

About 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)

4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) (PubChem CID 153428839) has the molecular formula C38H46N2OPt and a molecular weight of 741.88 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 153428839
• Molecular Formula: C38H46N2OPt
• Molecular Weight: 741.88 g/mol
• Exact Mass: 741.33
• IUPAC Name: 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2]
• InChI: InChI=1S/C38H46N2O.Pt/c1-35(2,3)27-13-15-39-33(23-27)25-17-29(37(7,8)9)21-31(19-25)41-32-20-26(18-30(22-32)38(10,11)12)34-24-28(14-16-40-34)36(4,5)6;/h13-18,21-24H,1-12H3;/q-2;+2
• InChIKey: BYCPTEPLAZJUAF-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.88
LogP ≤ 5	10.39
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-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) (CID 153428839) is 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+).

What is the SMILES notation for 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?

The canonical SMILES for 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2].

What is the InChIKey of 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?

The InChIKey is BYCPTEPLAZJUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N2O.Pt/c1-35(2,3)27-13-15-39-33(23-27)25-17-29(37(7,8)9)21-31(19-25)41-32-20-26(18-30(22-32)38(10,11)12)34-24-28(14-16-40-34)36(4,5)6;/h13-18,21-24H,1-12H3;/q-2;+2.

What are the key properties of 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?

4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) has a molecular weight of 741.88 g/mol, XLogP of 10.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153428839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).