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

C43H42N4OPt — CID 153415233

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

2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415233) has the molecular formula C43H42N4OPt and a molecular weight of 825.91 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415233
• Molecular Formula: C43H42N4OPt
• Molecular Weight: 825.91 g/mol
• Exact Mass: 825.30
• IUPAC Name: 2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC)ccn3)ccc2)c(C(C)(C)C)c1-c1ccc(CC)cc1.[Pt+2]
• InChI: InChI=1S/C43H42N4O.Pt/c1-7-13-37-41(31-20-18-29(8-2)19-21-31)42(43(4,5)6)47(45-37)32-14-12-15-33(27-32)48-34-22-23-36-35-16-10-11-17-38(35)46(39(36)28-34)40-26-30(9-3)24-25-44-40;/h10-12,14-26H,7-9,13H2,1-6H3;/q-2;+2
• InChIKey: PBOFCKGQHVGHME-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.91
LogP ≤ 5	10.80
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-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415233) is 2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC)ccn3)ccc2)c(C(C)(C)C)c1-c1ccc(CC)cc1.[Pt+2].

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

The InChIKey is PBOFCKGQHVGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O.Pt/c1-7-13-37-41(31-20-18-29(8-2)19-21-31)42(43(4,5)6)47(45-37)32-14-12-15-33(27-32)48-34-22-23-36-35-16-10-11-17-38(35)46(39(36)28-34)40-26-30(9-3)24-25-44-40;/h10-12,14-26H,7-9,13H2,1-6H3;/q-2;+2.

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

2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 825.91 g/mol, XLogP of 10.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-4-(4-ethylphenyl)-3-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).