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

C35H25FN4O2Pt — CID 153414465

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414465) has the molecular formula C35H25FN4O2Pt and a molecular weight of 747.69 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414465
• Molecular Formula: C35H25FN4O2Pt
• Molecular Weight: 747.69 g/mol
• Exact Mass: 747.16
• IUPAC Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C35H25FN4O2.Pt/c1-22-15-29(41-3)16-23(2)35(22)24-20-38-39(21-24)26-7-6-8-27(18-26)42-28-11-12-31-30-9-4-5-10-32(30)40(33(31)19-28)34-17-25(36)13-14-37-34;/h4-17,20-21H,1-3H3;/q-2;+2
• InChIKey: HQCUDQNNNSDKPW-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.69
LogP ≤ 5	8.19
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 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153414465) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is COc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c(C)c1.[Pt+2].

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

The InChIKey is HQCUDQNNNSDKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN4O2.Pt/c1-22-15-29(41-3)16-23(2)35(22)24-20-38-39(21-24)26-7-6-8-27(18-26)42-28-11-12-31-30-9-4-5-10-32(30)40(33(31)19-28)34-17-25(36)13-14-37-34;/h4-17,20-21H,1-3H3;/q-2;+2.

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 747.69 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).