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

C42H38N2OPt — CID 153428858

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

4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) (PubChem CID 153428858) has the molecular formula C42H38N2OPt and a molecular weight of 781.86 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 153428858
• Molecular Formula: C42H38N2OPt
• Molecular Weight: 781.86 g/mol
• Exact Mass: 781.26
• IUPAC Name: 4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3-c3ccccc3)c(-c3ccccc3)cc2)c1.[Pt+2]
• InChI: InChI=1S/C42H38N2O.Pt/c1-41(2,3)33-21-23-43-37(27-33)31-17-19-35(29-13-9-7-10-14-29)39(25-31)45-40-26-32(18-20-36(40)30-15-11-8-12-16-30)38-28-34(22-24-44-38)42(4,5)6;/h7-24,27-28H,1-6H3;/q-2;+2
• InChIKey: VYUCTQIOVBWTGF-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.86
LogP ≤ 5	11.13
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-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) (CID 153428858) is 4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+).

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

The canonical SMILES for 4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3-c3ccccc3)c(-c3ccccc3)cc2)c1.[Pt+2].

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

The InChIKey is VYUCTQIOVBWTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2O.Pt/c1-41(2,3)33-21-23-43-37(27-33)31-17-19-35(29-13-9-7-10-14-29)39(25-31)45-40-26-32(18-20-36(40)30-15-11-8-12-16-30)38-28-34(22-24-44-38)42(4,5)6;/h7-24,27-28H,1-6H3;/q-2;+2.

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

4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) has a molecular weight of 781.86 g/mol, XLogP of 11.13, 6 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-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153428858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).