2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C44H44N4O2Pt — CID 153417136

About 2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417136) has the molecular formula C44H44N4O2Pt and a molecular weight of 855.94 g/mol. Its IUPAC name is 2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)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-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417136
• Molecular Formula: C44H44N4O2Pt
• Molecular Weight: 855.94 g/mol
• Exact Mass: 855.31
• IUPAC Name: 2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1c(C)c(C)c(-c2c(C(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2C(C)C)c(C)c1C.[Pt+2]
• InChI: InChI=1S/C44H44N4O2.Pt/c1-25(2)42-41(40-28(6)30(8)44(49-10)31(9)29(40)7)43(26(3)4)48(46-42)32-14-13-15-33(23-32)50-34-18-19-36-35-16-11-12-17-37(35)47(38(36)24-34)39-22-27(5)20-21-45-39;/h11-22,25-26H,1-10H3;/q-2;+2
• InChIKey: NXJFPQOEQKDXMG-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.94
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)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-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417136) is 2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)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-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)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-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1c(C)c(C)c(-c2c(C(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2C(C)C)c(C)c1C.[Pt+2].

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

The InChIKey is NXJFPQOEQKDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O2.Pt/c1-25(2)42-41(40-28(6)30(8)44(49-10)31(9)29(40)7)43(26(3)4)48(46-42)32-14-13-15-33(23-32)50-34-18-19-36-35-16-11-12-17-37(35)47(38(36)24-34)39-22-27(5)20-21-45-39;/h11-22,25-26H,1-10H3;/q-2;+2.

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

2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)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 855.94 g/mol, XLogP of 11.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-methoxy-2,3,5,6-tetramethylphenyl)-3,5-di(propan-2-yl)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 153417136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).