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

C44H44N4O4Pt — CID 153415944

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

2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415944) has the molecular formula C44H44N4O4Pt and a molecular weight of 887.94 g/mol. Its IUPAC name is 2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)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-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415944
• Molecular Formula: C44H44N4O4Pt
• Molecular Weight: 887.94 g/mol
• Exact Mass: 887.30
• IUPAC Name: 2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1cc(OC)c(-c2c(C(C)(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2C(C)(C)C)c(OC)c1.[Pt+2]
• InChI: InChI=1S/C44H44N4O4.Pt/c1-27-20-21-45-38(22-27)47-34-17-12-11-16-32(34)33-19-18-30(24-35(33)47)52-29-15-13-14-28(23-29)48-42(44(5,6)7)40(41(46-48)43(2,3)4)39-36(50-9)25-31(49-8)26-37(39)51-10;/h11-22,25-26H,1-10H3;/q-2;+2
• InChIKey: CMUGVAQOAVVQFW-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 72.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.94
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)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-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415944) is 2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)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-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)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-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1cc(OC)c(-c2c(C(C)(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2C(C)(C)C)c(OC)c1.[Pt+2].

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

The InChIKey is CMUGVAQOAVVQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O4.Pt/c1-27-20-21-45-38(22-27)47-34-17-12-11-16-32(34)33-19-18-30(24-35(33)47)52-29-15-13-14-28(23-29)48-42(44(5,6)7)40(41(46-48)43(2,3)4)39-36(50-9)25-31(49-8)26-37(39)51-10;/h11-22,25-26H,1-10H3;/q-2;+2.

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

2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)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 887.94 g/mol, XLogP of 10.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)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 153415944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).