[5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)

C41H38N4O2Pt — CID 153415047

About [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)

[5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+) (PubChem CID 153415047) has the molecular formula C41H38N4O2Pt and a molecular weight of 813.86 g/mol. Its IUPAC name is [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+).

Molecular Properties

• Compound Name: [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)
• PubChem CID: 153415047
• Molecular Formula: C41H38N4O2Pt
• Molecular Weight: 813.86 g/mol
• Exact Mass: 813.26
• IUPAC Name: [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)(C)C)c(-c6ccccc6)c5CO)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C41H38N4O2.Pt/c1-26(2)29-21-30(45-37(25-46)39(28-12-8-7-9-13-28)40(43-45)41(4,5)6)23-32(22-29)47-31-16-17-34-33-14-10-11-15-35(33)44(36(34)24-31)38-20-27(3)18-19-42-38;/h7-22,26,46H,25H2,1-6H3;/q-2;+2
• InChIKey: WAGUXOIZVUSYHT-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 65.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.86
LogP ≤ 5	9.64
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 [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)?

The IUPAC name of [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+) (CID 153415047) is [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+).

What is the SMILES notation for [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)?

The canonical SMILES for [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)(C)C)c(-c6ccccc6)c5CO)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)?

The InChIKey is WAGUXOIZVUSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O2.Pt/c1-26(2)29-21-30(45-37(25-46)39(28-12-8-7-9-13-28)40(43-45)41(4,5)6)23-32(22-29)47-31-16-17-34-33-14-10-11-15-35(33)44(36(34)24-31)38-20-27(3)18-19-42-38;/h7-22,26,46H,25H2,1-6H3;/q-2;+2.

What are the key properties of [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+)?

[5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+) has a molecular weight of 813.86 g/mol, XLogP of 9.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-tert-butyl-2-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-phenylpyrazol-3-yl]methanol;platinum(2+) is sourced from PubChem (CID 153415047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).