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

C34H32N2OPt — CID 153428755

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

3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+) (PubChem CID 153428755) has the molecular formula C34H32N2OPt and a molecular weight of 679.72 g/mol. Its IUPAC name is 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+).

Molecular Properties

• Compound Name: 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+)
• PubChem CID: 153428755
• Molecular Formula: C34H32N2OPt
• Molecular Weight: 679.72 g/mol
• Exact Mass: 679.22
• IUPAC Name: 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)ccc2)[c-]c(-c2cc3ccccc3cn2)c1.[Pt+2]
• InChI: InChI=1S/C34H32N2O.Pt/c1-33(2,3)27-14-15-35-32(21-27)24-12-9-13-29(17-24)37-30-18-26(16-28(20-30)34(4,5)6)31-19-23-10-7-8-11-25(23)22-36-31;/h7-16,19-22H,1-6H3;/q-2;+2
• InChIKey: WEQXWHNGNJBPRC-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.72
LogP ≤ 5	8.95
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 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+)?

The IUPAC name of 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+) (CID 153428755) is 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+).

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

The canonical SMILES for 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)ccc2)[c-]c(-c2cc3ccccc3cn2)c1.[Pt+2].

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

The InChIKey is WEQXWHNGNJBPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O.Pt/c1-33(2,3)27-14-15-35-32(21-27)24-12-9-13-29(17-24)37-30-18-26(16-28(20-30)34(4,5)6)31-19-23-10-7-8-11-25(23)22-36-31;/h7-16,19-22H,1-6H3;/q-2;+2.

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

3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+) has a molecular weight of 679.72 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+) is sourced from PubChem (CID 153428755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).