2-[3-[4-[3,5-dimethyl-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+)

C36H21F7N4OPt — CID 153414702

About 2-[3-[4-[3,5-dimethyl-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-[3,5-dimethyl-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 153414702) has the molecular formula C36H21F7N4OPt and a molecular weight of 853.65 g/mol. Its IUPAC name is 2-[3-[4-[3,5-dimethyl-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-[3,5-dimethyl-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: 153414702
• Molecular Formula: C36H21F7N4OPt
• Molecular Weight: 853.65 g/mol
• Exact Mass: 853.13
• IUPAC Name: 2-[3-[4-[3,5-dimethyl-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: Cc1cc(C)c(C(F)(F)F)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c1C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C36H21F7N4O.Pt/c1-20-14-21(2)34(36(41,42)43)32(33(20)35(38,39)40)22-18-45-46(19-22)24-6-5-7-25(16-24)48-26-10-11-28-27-8-3-4-9-29(27)47(30(28)17-26)31-15-23(37)12-13-44-31;/h3-15,18-19H,1-2H3;/q-2;+2
• InChIKey: XAQCVXQHGKYJJF-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.65
LogP ≤ 5	10.22
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-[3,5-dimethyl-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-[3,5-dimethyl-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 153414702) is 2-[3-[4-[3,5-dimethyl-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-[3,5-dimethyl-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-[3,5-dimethyl-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 Cc1cc(C)c(C(F)(F)F)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c1C(F)(F)F.[Pt+2].

What is the InChIKey of 2-[3-[4-[3,5-dimethyl-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 XAQCVXQHGKYJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F7N4O.Pt/c1-20-14-21(2)34(36(41,42)43)32(33(20)35(38,39)40)22-18-45-46(19-22)24-6-5-7-25(16-24)48-26-10-11-28-27-8-3-4-9-29(27)47(30(28)17-26)31-15-23(37)12-13-44-31;/h3-15,18-19H,1-2H3;/q-2;+2.

What are the key properties of 2-[3-[4-[3,5-dimethyl-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-[3,5-dimethyl-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 853.65 g/mol, XLogP of 10.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[3,5-dimethyl-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 153414702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).