2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C56H52N4OPt — CID 164704744

About 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 164704744) has the molecular formula C56H52N4OPt and a molecular weight of 998.17 g/mol. Its IUPAC name is 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 164704744
• Molecular Formula: C56H52N4OPt
• Molecular Weight: 998.17 g/mol
• Exact Mass: 997.42
• IUPAC Name: 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3C(C)(C)C)ccn2)[c-]c(-c2nccn2-c2c(C)cc(C(C)(C)C)cc2C)c1.[Pt+2]
• InChI: InChI=1S/C56H52N4O.Pt/c1-35-16-15-17-36(2)52(35)40-30-41(54-58-26-27-59(54)53-37(3)28-42(29-38(53)4)55(5,6)7)32-44(31-40)61-43-22-23-47-46-19-12-14-21-49(46)60(50(47)34-43)51-33-39(24-25-57-51)45-18-11-13-20-48(45)56(8,9)10;/h11-31,33H,1-10H3;/q-2;+2/i1D3,2D3
• InChIKey: ZZJMPUHIOXVZDH-TXHXQZCNSA-N
• XLogP: 14.58
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.17
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 164704744) is 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3C(C)(C)C)ccn2)[c-]c(-c2nccn2-c2c(C)cc(C(C)(C)C)cc2C)c1.[Pt+2].

What is the InChIKey of 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZZJMPUHIOXVZDH-TXHXQZCNSA-N. The full InChI is InChI=1S/C56H52N4O.Pt/c1-35-16-15-17-36(2)52(35)40-30-41(54-58-26-27-59(54)53-37(3)28-42(29-38(53)4)55(5,6)7)32-44(31-40)61-43-22-23-47-46-19-12-14-21-49(46)60(50(47)34-43)51-33-39(24-25-57-51)45-18-11-13-20-48(45)56(8,9)10;/h11-31,33H,1-10H3;/q-2;+2/i1D3,2D3;.

What are the key properties of 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 998.17 g/mol, XLogP of 14.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2,6-bis(trideuteriomethyl)phenyl]-5-[1-(4-tert-butyl-2,6-dimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-[4-(2-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 164704744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).