2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C41H38N4O2Pt — CID 153416570

About 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416570) has the molecular formula C41H38N4O2Pt and a molecular weight of 813.86 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416570
• Molecular Formula: C41H38N4O2Pt
• Molecular Weight: 813.86 g/mol
• Exact Mass: 813.26
• IUPAC Name: 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(OC)ccn3)ccc2)c(CCC)c1-c1c(C)cccc1C.[Pt+2]
• InChI: InChI=1S/C41H38N4O2.Pt/c1-6-12-35-41(40-27(3)14-10-15-28(40)4)37(13-7-2)45(43-35)29-16-11-17-31(24-29)47-32-20-21-34-33-18-8-9-19-36(33)44(38(34)25-32)39-26-30(46-5)22-23-42-39;/h8-11,14-23,26H,6-7,12-13H2,1-5H3;/q-2;+2
• InChIKey: BSOBERXLUJGVHH-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.86
LogP ≤ 5	9.95
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-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416570) is 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(OC)ccn3)ccc2)c(CCC)c1-c1c(C)cccc1C.[Pt+2].

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

The InChIKey is BSOBERXLUJGVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O2.Pt/c1-6-12-35-41(40-27(3)14-10-15-28(40)4)37(13-7-2)45(43-35)29-16-11-17-31(24-29)47-32-20-21-34-33-18-8-9-19-36(33)44(38(34)25-32)39-26-30(46-5)22-23-42-39;/h8-11,14-23,26H,6-7,12-13H2,1-5H3;/q-2;+2.

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

2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 813.86 g/mol, XLogP of 9.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).