1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)

C34H26N2OPt — CID 153428959

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

1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+) (PubChem CID 153428959) has the molecular formula C34H26N2OPt and a molecular weight of 673.67 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+).

Molecular Properties

• Compound Name: 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
• PubChem CID: 153428959
• Molecular Formula: C34H26N2OPt
• Molecular Weight: 673.67 g/mol
• Exact Mass: 673.17
• IUPAC Name: 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(-c3nccc4ccccc34)ccc2)[c-]c(-c2cc3ccccc3cn2)c1.[Pt+2]
• InChI: InChI=1S/C34H26N2O.Pt/c1-34(2,3)28-17-27(32-20-24-10-4-5-11-26(24)22-36-32)19-30(21-28)37-29-13-8-12-25(18-29)33-31-14-7-6-9-23(31)15-16-35-33;/h4-17,20-22H,1-3H3;/q-2;+2
• InChIKey: FIZJDZCDTUJEDO-UHFFFAOYSA-N
• XLogP: 8.80
• 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	673.67
LogP ≤ 5	8.80
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 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)?

The IUPAC name of 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+) (CID 153428959) is 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+).

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

The canonical SMILES for 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c(-c3nccc4ccccc34)ccc2)[c-]c(-c2cc3ccccc3cn2)c1.[Pt+2].

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

The InChIKey is FIZJDZCDTUJEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O.Pt/c1-34(2,3)28-17-27(32-20-24-10-4-5-11-26(24)22-36-32)19-30(21-28)37-29-13-8-12-25(18-29)33-31-14-7-6-9-23(31)15-16-35-33;/h4-17,20-22H,1-3H3;/q-2;+2.

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

1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+) has a molecular weight of 673.67 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+) is sourced from PubChem (CID 153428959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).