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

C42H40N4O3Pt — CID 153416586

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

2-[3-[3,5-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416586) has the molecular formula C42H40N4O3Pt and a molecular weight of 843.88 g/mol. Its IUPAC name is 2-[3-[3,5-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)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-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416586
• Molecular Formula: C42H40N4O3Pt
• Molecular Weight: 843.88 g/mol
• Exact Mass: 843.27
• IUPAC Name: 2-[3-[3,5-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCOc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(OCC)c1-c1c(C)c(C)c(C)c(C)c1C.[Pt+2]
• InChI: InChI=1S/C42H40N4O3.Pt/c1-9-47-41-40(39-29(7)27(5)26(4)28(6)30(39)8)42(48-10-2)46(44-41)31-14-13-15-32(23-31)49-33-18-19-35-34-16-11-12-17-36(34)45(37(35)24-33)38-22-25(3)20-21-43-38;/h11-22H,9-10H2,1-8H3;/q-2;+2
• InChIKey: JPUDZTRKEAORBY-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.88
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)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-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416586) is 2-[3-[3,5-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)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-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)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-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCOc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(OCC)c1-c1c(C)c(C)c(C)c(C)c1C.[Pt+2].

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

The InChIKey is JPUDZTRKEAORBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O3.Pt/c1-9-47-41-40(39-29(7)27(5)26(4)28(6)30(39)8)42(48-10-2)46(44-41)31-14-13-15-32(23-31)49-33-18-19-35-34-16-11-12-17-36(34)45(37(35)24-33)38-22-25(3)20-21-43-38;/h11-22H,9-10H2,1-8H3;/q-2;+2.

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

2-[3-[3,5-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)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 843.88 g/mol, XLogP of 10.07, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-diethoxy-4-(2,3,4,5,6-pentamethylphenyl)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 153416586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).