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

C34H17F7N4OPt — CID 153414483

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

2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414483) has the molecular formula C34H17F7N4OPt and a molecular weight of 825.60 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]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-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414483
• Molecular Formula: C34H17F7N4OPt
• Molecular Weight: 825.60 g/mol
• Exact Mass: 825.09
• IUPAC Name: 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Fc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C34H17F7N4O.Pt/c35-21-13-14-42-31(15-21)45-29-10-2-1-7-25(29)26-12-11-24(17-30(26)45)46-23-6-3-5-22(16-23)44-19-20(18-43-44)32-27(33(36,37)38)8-4-9-28(32)34(39,40)41;/h1-15,18-19H;/q-2;+2
• InChIKey: VLKLXUIPMKGIRY-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.60
LogP ≤ 5	9.60
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-[4-[2,6-bis(trifluoromethyl)phenyl]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-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414483) is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]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-[2,6-bis(trifluoromethyl)phenyl]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-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Fc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is VLKLXUIPMKGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H17F7N4O.Pt/c35-21-13-14-42-31(15-21)45-29-10-2-1-7-25(29)26-12-11-24(17-30(26)45)46-23-6-3-5-22(16-23)44-19-20(18-43-44)32-27(33(36,37)38)8-4-9-28(32)34(39,40)41;/h1-15,18-19H;/q-2;+2.

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

2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]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 825.60 g/mol, XLogP of 9.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]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 153414483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).