2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C40H37N5OPt-2 — CID 171765594

About 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171765594) has the molecular formula C40H37N5OPt-2 and a molecular weight of 801.87 g/mol. Its IUPAC name is 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171765594
• Molecular Formula: C40H37N5OPt-2
• Molecular Weight: 801.87 g/mol
• Exact Mass: 801.28
• IUPAC Name: 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)cnc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C40H37N5O.Pt/c1-27-14-15-42-38(18-27)45-36-11-9-8-10-34(36)35-13-12-32(23-37(35)45)46-33-22-31(24-41-25-33)44-17-16-43(26-44)30-20-28(39(2,3)4)19-29(21-30)40(5,6)7;/h8-21,24-25H,1-7H3;/q-2;/i1D3
• InChIKey: IBWGVCFVERNDTL-NIIDSAIPSA-N
• XLogP: 8.73
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.87
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171765594) is 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)cnc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is IBWGVCFVERNDTL-NIIDSAIPSA-N. The full InChI is InChI=1S/C40H37N5O.Pt/c1-27-14-15-42-38(18-27)45-36-11-9-8-10-34(36)35-13-12-32(23-37(35)45)46-33-22-31(24-41-25-33)44-17-16-43(26-44)30-20-28(39(2,3)4)19-29(21-30)40(5,6)7;/h8-21,24-25H,1-7H3;/q-2;/i1D3;.

What are the key properties of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 801.87 g/mol, XLogP of 8.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).