2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)

C44H44N4OPt — CID 153441117

About 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441117) has the molecular formula C44H44N4OPt and a molecular weight of 842.96 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441117
• Molecular Formula: C44H44N4OPt
• Molecular Weight: 842.96 g/mol
• Exact Mass: 842.34
• IUPAC Name: 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4CC)cc(C(C)(C)C)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C44H44N4O.Pt/c1-10-38-42(30-14-12-11-13-15-30)29(3)46-48(38)33-23-32(44(7,8)9)24-35(26-33)49-34-17-18-36-37-22-28(2)16-19-39(37)47(40(36)27-34)41-25-31(20-21-45-41)43(4,5)6;/h11-25H,10H2,1-9H3;/q-2;+2/i2D3
• InChIKey: LZVYRYBXNUZBQB-MUTAZJQDSA-N
• XLogP: 11.20
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.96
LogP ≤ 5	11.20
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-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441117) is 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) is [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4CC)cc(C(C)(C)C)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2].

What is the InChIKey of 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is LZVYRYBXNUZBQB-MUTAZJQDSA-N. The full InChI is InChI=1S/C44H44N4O.Pt/c1-10-38-42(30-14-12-11-13-15-30)29(3)46-48(38)33-23-32(44(7,8)9)24-35(26-33)49-34-17-18-36-37-22-28(2)16-19-39(37)47(40(36)27-34)41-25-31(20-21-45-41)43(4,5)6;/h11-25H,10H2,1-9H3;/q-2;+2/i2D3;.

What are the key properties of 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 842.96 g/mol, XLogP of 11.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).