2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C39H34N4OPt — CID 153415287

About 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415287) has the molecular formula C39H34N4OPt and a molecular weight of 769.81 g/mol. Its IUPAC name is 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-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-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415287
• Molecular Formula: C39H34N4OPt
• Molecular Weight: 769.81 g/mol
• Exact Mass: 769.24
• IUPAC Name: 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C39H34N4O.Pt/c1-4-6-18-36-39(28-13-8-7-9-14-28)34(5-2)41-43(36)29-15-12-16-30(25-29)44-31-20-21-33-32-17-10-11-19-35(32)42(37(33)26-31)38-24-27(3)22-23-40-38;/h7-17,19-24H,4-6,18H2,1-3H3;/q-2;+2
• InChIKey: ZAKKXJBMYZKOEO-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.81
LogP ≤ 5	9.64
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-(5-butyl-3-ethyl-4-phenylpyrazol-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-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415287) is 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-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-(5-butyl-3-ethyl-4-phenylpyrazol-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-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2].

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

The InChIKey is ZAKKXJBMYZKOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O.Pt/c1-4-6-18-36-39(28-13-8-7-9-14-28)34(5-2)41-43(36)29-15-12-16-30(25-29)44-31-20-21-33-32-17-10-11-19-35(32)42(37(33)26-31)38-24-27(3)22-23-40-38;/h7-17,19-24H,4-6,18H2,1-3H3;/q-2;+2.

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

2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 769.81 g/mol, XLogP of 9.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).