2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C48H49F3N4OPt — CID 153415440

About 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415440) has the molecular formula C48H49F3N4OPt and a molecular weight of 950.02 g/mol. Its IUPAC name is 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415440
• Molecular Formula: C48H49F3N4OPt
• Molecular Weight: 950.02 g/mol
• Exact Mass: 949.35
• IUPAC Name: 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)cc(C(C)(C)C)c2)c(C(C)CC)c1-c1cc(CC)cc(CC)c1.[Pt+2]
• InChI: InChI=1S/C48H49F3N4O.Pt/c1-9-15-41-45(33-23-31(11-3)22-32(12-4)24-33)46(30(5)10-2)55(53-41)36-25-35(47(6,7)8)26-38(28-36)56-37-18-19-40-39-16-13-14-17-42(39)54(43(40)29-37)44-27-34(20-21-52-44)48(49,50)51;/h13-14,16-27,30H,9-12,15H2,1-8H3;/q-2;+2
• InChIKey: CHEXIEZDOQCWSR-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.02
LogP ≤ 5	13.33
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-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153415440) is 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)cc(C(C)(C)C)c2)c(C(C)CC)c1-c1cc(CC)cc(CC)c1.[Pt+2].

What is the InChIKey of 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is CHEXIEZDOQCWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49F3N4O.Pt/c1-9-15-41-45(33-23-31(11-3)22-32(12-4)24-33)46(30(5)10-2)55(53-41)36-25-35(47(6,7)8)26-38(28-36)56-37-18-19-40-39-16-13-14-17-42(39)54(43(40)29-37)44-27-34(20-21-52-44)48(49,50)51;/h13-14,16-27,30H,9-12,15H2,1-8H3;/q-2;+2.

What are the key properties of 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 950.02 g/mol, XLogP of 13.33, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).