2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C46H48N4OPt — CID 153413593

About 2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413593) has the molecular formula C46H48N4OPt and a molecular weight of 867.99 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413593
• Molecular Formula: C46H48N4OPt
• Molecular Weight: 867.99 g/mol
• Exact Mass: 867.35
• IUPAC Name: 2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1cc(C)cc(CCCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)(C)C)c2)c1.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-8-10-14-33-22-32(4)23-34(15-11-9-2)45(33)35-29-48-49(30-35)37-25-36(46(5,6)7)26-39(27-37)51-38-18-19-41-40-16-12-13-17-42(40)50(43(41)28-38)44-24-31(3)20-21-47-44;/h12-13,16-26,29-30H,8-11,14-15H2,1-7H3;/q-2;+2
• InChIKey: ABNKMNVHAIKEGY-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.99
LogP ≤ 5	12.02
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-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413593) is 2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCCc1cc(C)cc(CCCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)(C)C)c2)c1.[Pt+2].

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

The InChIKey is ABNKMNVHAIKEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-8-10-14-33-22-32(4)23-34(15-11-9-2)45(33)35-29-48-49(30-35)37-25-36(46(5,6)7)26-39(27-37)51-38-18-19-41-40-16-12-13-17-42(40)50(43(41)28-38)44-24-31(3)20-21-47-44;/h12-13,16-26,29-30H,8-11,14-15H2,1-7H3;/q-2;+2.

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

2-[3-tert-butyl-5-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 867.99 g/mol, XLogP of 12.02, 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-[4-(2,6-dibutyl-4-methylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).