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

C52H60N4OPt — CID 153442269

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

2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442269) has the molecular formula C52H60N4OPt and a molecular weight of 952.16 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442269
• Molecular Formula: C52H60N4OPt
• Molecular Weight: 952.16 g/mol
• Exact Mass: 951.44
• IUPAC Name: 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CCCCC(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(CC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C52H60N4O.Pt/c1-12-44-49(36-20-15-14-16-21-36)45(13-2)56(54-44)39-30-38(52(9,10)11)31-41(33-39)57-40-23-24-42-43-29-35(19-17-18-27-50(3,4)5)22-25-46(43)55(47(42)34-40)48-32-37(26-28-53-48)51(6,7)8;/h14-16,20-26,28-32H,12-13,17-19,27H2,1-11H3;/q-2;+2
• InChIKey: FHXHRABVXSEXTC-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.16
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+) (CID 153442269) is 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CCCCC(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(CC)c1-c1ccccc1.[Pt+2].

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

The InChIKey is FHXHRABVXSEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N4O.Pt/c1-12-44-49(36-20-15-14-16-21-36)45(13-2)56(54-44)39-30-38(52(9,10)11)31-41(33-39)57-40-23-24-42-43-29-35(19-17-18-27-50(3,4)5)22-25-46(43)55(47(42)34-40)48-32-37(26-28-53-48)51(6,7)8;/h14-16,20-26,28-32H,12-13,17-19,27H2,1-11H3;/q-2;+2.

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

2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 952.16 g/mol, XLogP of 13.90, 11 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-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).