2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum

C33H30N3O2Pt- — CID 153303993

About 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum

2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum (PubChem CID 153303993) has the molecular formula C33H30N3O2Pt- and a molecular weight of 695.70 g/mol. Its IUPAC name is 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum
• PubChem CID: 153303993
• Molecular Formula: C33H30N3O2Pt-
• Molecular Weight: 695.70 g/mol
• Exact Mass: 695.20
• IUPAC Name: 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum
• SMILES: Cc1cc(-c2cc(-c3[c-]c(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)c2)cc(C)n1.[Pt]
• InChI: InChI=1S/C33H30N3O2.Pt/c1-21-14-23(15-22(2)35-21)24-18-29(36-30(19-24)28-10-6-7-11-31(28)37)25-16-26(33(3,4)5)20-27(17-25)38-32-12-8-9-13-34-32;/h6-16,18-20,37H,1-5H3;/q-1
• InChIKey: LKRLOXWHIWILLV-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 68.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.70
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum (CID 153303993) is 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum is Cc1cc(-c2cc(-c3[c-]c(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)c2)cc(C)n1.[Pt].

What is the InChIKey of 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum?

The InChIKey is LKRLOXWHIWILLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N3O2.Pt/c1-21-14-23(15-22(2)35-21)24-18-29(36-30(19-24)28-10-6-7-11-31(28)37)25-16-26(33(3,4)5)20-27(17-25)38-32-12-8-9-13-34-32;/h6-16,18-20,37H,1-5H3;/q-1;.

What are the key properties of 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum?

2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum has a molecular weight of 695.70 g/mol, XLogP of 8.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 153303993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).