2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C47H50N4OPt — CID 153418003

About 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153418003) has the molecular formula C47H50N4OPt and a molecular weight of 882.02 g/mol. Its IUPAC name is 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153418003
• Molecular Formula: C47H50N4OPt
• Molecular Weight: 882.02 g/mol
• Exact Mass: 881.36
• IUPAC Name: 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1c(-c2c(C)cc(C)cc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC(C)C)ccn2)cc(C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C47H50N4O.Pt/c1-10-11-15-43-47(46-32(7)22-31(6)23-33(46)8)34(9)49-51(43)37-25-36(30(4)5)26-39(27-37)52-38-17-18-41-40-14-12-13-16-42(40)50(44(41)28-38)45-24-35(19-20-48-45)21-29(2)3;/h12-14,16-20,22-26,29-30H,10-11,15,21H2,1-9H3;/q-2;+2
• InChIKey: IEXXEUZDLODWFM-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.02
LogP ≤ 5	12.32
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-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153418003) is 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CCCCc1c(-c2c(C)cc(C)cc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC(C)C)ccn2)cc(C(C)C)c1.[Pt+2].

What is the InChIKey of 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is IEXXEUZDLODWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N4O.Pt/c1-10-11-15-43-47(46-32(7)22-31(6)23-33(46)8)34(9)49-51(43)37-25-36(30(4)5)26-39(27-37)52-38-17-18-41-40-14-12-13-16-42(40)50(44(41)28-38)45-24-35(19-20-48-45)21-29(2)3;/h12-14,16-20,22-26,29-30H,10-11,15,21H2,1-9H3;/q-2;+2.

What are the key properties of 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 882.02 g/mol, XLogP of 12.32, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153418003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).