2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)

C40H34N4O2Pt — CID 164811941

About 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)

2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+) (PubChem CID 164811941) has the molecular formula C40H34N4O2Pt and a molecular weight of 811.90 g/mol. Its IUPAC name is 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+).

Molecular Properties

• Compound Name: 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)
• PubChem CID: 164811941
• Molecular Formula: C40H34N4O2Pt
• Molecular Weight: 811.90 g/mol
• Exact Mass: 811.32
• IUPAC Name: 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)
• SMILES: [2H]C([2H])([2H])C([2H])(c1cccc(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-n1c(-c2ccccc2O)nc2c(N3C=CN(c4[c-]ccc5c4oc4ccccc45)[CH-]3)cccc21)C([2H])([2H])[2H].[Pt+2]
• InChI: InChI=1S/C40H34N4O2.Pt/c1-25(2)27-14-9-15-28(26(3)4)38(27)44-33-18-11-17-32(37(33)41-40(44)31-13-5-7-20-35(31)45)42-22-23-43(24-42)34-19-10-16-30-29-12-6-8-21-36(29)46-39(30)34;/h5-18,20-26,45H,1-4H3;/q-2;+2/i1D3,2D3,3D3,4D3,25D,26D
• InChIKey: GSSSZQZKHQATDT-JOZBQWIBSA-N
• XLogP: 10.26
• TPSA: 57.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.90
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)?

The IUPAC name of 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+) (CID 164811941) is 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+).

What is the SMILES notation for 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)?

The canonical SMILES for 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+) is [2H]C([2H])([2H])C([2H])(c1cccc(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-n1c(-c2ccccc2O)nc2c(N3C=CN(c4[c-]ccc5c4oc4ccccc45)[CH-]3)cccc21)C([2H])([2H])[2H].[Pt+2].

What is the InChIKey of 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)?

The InChIKey is GSSSZQZKHQATDT-JOZBQWIBSA-N. The full InChI is InChI=1S/C40H34N4O2.Pt/c1-25(2)27-14-9-15-28(26(3)4)38(27)44-33-18-11-17-32(37(33)41-40(44)31-13-5-7-20-35(31)45)42-22-23-43(24-42)34-19-10-16-30-29-12-6-8-21-36(29)46-39(30)34;/h5-18,20-26,45H,1-4H3;/q-2;+2/i1D3,2D3,3D3,4D3,25D,26D;.

What are the key properties of 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)?

2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+) has a molecular weight of 811.90 g/mol, XLogP of 10.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+) is sourced from PubChem (CID 164811941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).