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

C46H31FN4O3Pt — CID 153412889

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

2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412889) has the molecular formula C46H31FN4O3Pt and a molecular weight of 901.86 g/mol. Its IUPAC name is 2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412889
• Molecular Formula: C46H31FN4O3Pt
• Molecular Weight: 901.86 g/mol
• Exact Mass: 901.20
• IUPAC Name: 2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)c(Oc2ccccc2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c1Oc1ccccc1.[Pt+2]
• InChI: InChI=1S/C46H31FN4O3.Pt/c1-30-24-31(2)46(54-36-15-7-4-8-16-36)44(45(30)53-35-13-5-3-6-14-35)32-28-49-50(29-32)34-12-11-17-37(26-34)52-38-20-21-40-39-18-9-10-19-41(39)51(42(40)27-38)43-25-33(47)22-23-48-43;/h3-25,28-29H,1-2H3;/q-2;+2
• InChIKey: IJSQITLKHFUEFM-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.86
LogP ≤ 5	11.76
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-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412889) is 2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)c(Oc2ccccc2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c1Oc1ccccc1.[Pt+2].

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

The InChIKey is IJSQITLKHFUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31FN4O3.Pt/c1-30-24-31(2)46(54-36-15-7-4-8-16-36)44(45(30)53-35-13-5-3-6-14-35)32-28-49-50(29-32)34-12-11-17-37(26-34)52-38-20-21-40-39-18-9-10-19-41(39)51(42(40)27-38)43-25-33(47)22-23-48-43;/h3-25,28-29H,1-2H3;/q-2;+2.

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

2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 901.86 g/mol, XLogP of 11.76, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(3,5-dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).