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

C30H30N2OPt — CID 153429120

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

4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+) (PubChem CID 153429120) has the molecular formula C30H30N2OPt and a molecular weight of 629.66 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 153429120
• Molecular Formula: C30H30N2OPt
• Molecular Weight: 629.66 g/mol
• Exact Mass: 629.20
• IUPAC Name: 4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)ccc2)[c-]c(-c2ccccn2)c1.[Pt+2]
• InChI: InChI=1S/C30H30N2O.Pt/c1-29(2,3)23-13-15-32-28(20-23)21-10-9-11-25(17-21)33-26-18-22(27-12-7-8-14-31-27)16-24(19-26)30(4,5)6;/h7-16,19-20H,1-6H3;/q-2;+2
• InChIKey: ISGLCGRZMCARRF-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.66
LogP ≤ 5	7.80
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-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+) (CID 153429120) is 4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+).

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

The canonical SMILES for 4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)ccc2)[c-]c(-c2ccccn2)c1.[Pt+2].

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

The InChIKey is ISGLCGRZMCARRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O.Pt/c1-29(2,3)23-13-15-32-28(20-23)21-10-9-11-25(17-21)33-26-18-22(27-12-7-8-14-31-27)16-24(19-26)30(4,5)6;/h7-16,19-20H,1-6H3;/q-2;+2.

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

4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+) has a molecular weight of 629.66 g/mol, XLogP of 7.80, 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-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153429120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).