2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum

C39H29N2O2Pt- — CID 168843908

About 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum

2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum (PubChem CID 168843908) has the molecular formula C39H29N2O2Pt- and a molecular weight of 752.75 g/mol. Its IUPAC name is 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum
• PubChem CID: 168843908
• Molecular Formula: C39H29N2O2Pt-
• Molecular Weight: 752.75 g/mol
• Exact Mass: 752.19
• IUPAC Name: 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum
• SMILES: CC1(C)C(c2cccc(CCc3nc(-c4[c-]ccc5c4oc4ccccc45)cc4ccccc34)c2O)=Nc2ccccc21.[Pt]
• InChI: InChI=1S/C39H29N2O2.Pt/c1-39(2)31-18-6-7-19-33(31)41-38(39)30-17-9-12-24(36(30)42)21-22-32-26-13-4-3-11-25(26)23-34(40-32)29-16-10-15-28-27-14-5-8-20-35(27)43-37(28)29;/h3-15,17-20,23,42H,21-22H2,1-2H3;/q-1
• InChIKey: HFWUQSOAZLLGKM-UHFFFAOYSA-N
• XLogP: 9.50
• TPSA: 58.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.75
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum?

The IUPAC name of 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum (CID 168843908) is 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum.

What is the SMILES notation for 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum?

The canonical SMILES for 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum is CC1(C)C(c2cccc(CCc3nc(-c4[c-]ccc5c4oc4ccccc45)cc4ccccc34)c2O)=Nc2ccccc21.[Pt].

What is the InChIKey of 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum?

The InChIKey is HFWUQSOAZLLGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N2O2.Pt/c1-39(2)31-18-6-7-19-33(31)41-38(39)30-17-9-12-24(36(30)42)21-22-32-26-13-4-3-11-25(26)23-34(40-32)29-16-10-15-28-27-14-5-8-20-35(27)43-37(28)29;/h3-15,17-20,23,42H,21-22H2,1-2H3;/q-1;.

What are the key properties of 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum?

2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum has a molecular weight of 752.75 g/mol, XLogP of 9.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum is sourced from PubChem (CID 168843908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).