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

C45H46N4OPt — CID 153413139

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

2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413139) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413139
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1cc(CC)c(C(C)(C)C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2)c1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-10-30-24-31(11-2)43(45(7,8)9)41(42(30)44(4,5)6)32-27-47-48(28-32)33-15-14-16-34(25-33)50-35-19-20-37-36-17-12-13-18-38(36)49(39(37)26-35)40-23-29(3)21-22-46-40;/h12-24,27-28H,10-11H2,1-9H3;/q-2;+2
• InChIKey: NRMWOSSBDQJPHL-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.45
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-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413139) is 2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1cc(CC)c(C(C)(C)C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2)c1C(C)(C)C.[Pt+2].

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

The InChIKey is NRMWOSSBDQJPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-10-30-24-31(11-2)43(45(7,8)9)41(42(30)44(4,5)6)32-27-47-48(28-32)33-15-14-16-34(25-33)50-35-19-20-37-36-17-12-13-18-38(36)49(39(37)26-35)40-23-29(3)21-22-46-40;/h12-24,27-28H,10-11H2,1-9H3;/q-2;+2.

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

2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-ditert-butyl-3,5-diethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).