2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum

About 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum

2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162784224) has the molecular formula C50H34N3O2Pt- and a molecular weight of 909.96 g/mol. Its IUPAC name is 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name	2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID	162784224
Molecular Formula	C50H34N3O2Pt-
Molecular Weight	909.96 g/mol
Exact Mass	909.27
IUPAC Name	2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum
SMILES	[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])([2H])[2H])cc4-c4ccccc4)cc4c3oc3ccccc34)c2)cc1.[Pt]
InChI	InChI=1S/C50H34N3O2.Pt/c1-31-19-22-33(23-20-31)35-25-26-51-43(30-35)42-29-36(28-41-38-13-7-9-18-47(38)55-49(41)42)37-15-10-16-45-48(37)52-50(39-14-6-8-17-46(39)54)53(45)44-24-21-32(2)27-40(44)34-11-4-3-5-12-34;/h3-28,30,54H,1-2H3;/q-1;/i1D3,2D3;
InChIKey	KHETXPILROYBFF-TXHXQZCNSA-N
XLogP	12.78
TPSA	64.08 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	56
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.96
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum (CID 162784224) is 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])([2H])[2H])cc4-c4ccccc4)cc4c3oc3ccccc34)c2)cc1.[Pt].

What is the InChIKey of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is KHETXPILROYBFF-TXHXQZCNSA-N. The full InChI is InChI=1S/C50H34N3O2.Pt/c1-31-19-22-33(23-20-31)35-25-26-51-43(30-35)42-29-36(28-41-38-13-7-9-18-47(38)55-49(41)42)37-15-10-16-45-48(37)52-50(39-14-6-8-17-46(39)54)53(45)44-24-21-32(2)27-40(44)34-11-4-3-5-12-34;/h3-28,30,54H,1-2H3;/q-1;/i1D3,2D3;.

What are the key properties of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 909.96 g/mol, XLogP of 12.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[4-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162784224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).