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

C45H46N4OPt — CID 153441453

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

2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441453) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441453
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CCCCC(C)(C)C)ccc3n4-c3cc(C)ccn3)ccc2)c(CC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-7-39-44(33-16-10-9-11-17-33)40(8-2)49(47-39)34-18-14-19-35(29-34)50-36-21-22-37-38-28-32(15-12-13-25-45(4,5)6)20-23-41(38)48(42(37)30-36)43-27-31(3)24-26-46-43;/h9-11,14,16-24,26-28H,7-8,12-13,15,25H2,1-6H3;/q-2;+2
• InChIKey: QKAOCHUDOCNDLV-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.61
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-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441453) is 2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CCCCC(C)(C)C)ccc3n4-c3cc(C)ccn3)ccc2)c(CC)c1-c1ccccc1.[Pt+2].

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

The InChIKey is QKAOCHUDOCNDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-7-39-44(33-16-10-9-11-17-33)40(8-2)49(47-39)34-18-14-19-35(29-34)50-36-21-22-37-38-28-32(15-12-13-25-45(4,5)6)20-23-41(38)48(42(37)30-36)43-27-31(3)24-26-46-43;/h9-11,14,16-24,26-28H,7-8,12-13,15,25H2,1-6H3;/q-2;+2.

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

2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(5,5-dimethylhexyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).