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

C37H24F6N4O2Pt — CID 153414290

About 2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-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-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414290) has the molecular formula C37H24F6N4O2Pt and a molecular weight of 865.69 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-methoxy-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-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414290
• Molecular Formula: C37H24F6N4O2Pt
• Molecular Weight: 865.69 g/mol
• Exact Mass: 865.15
• IUPAC Name: 2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)c(C)cc(C)c6C(F)(F)F)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C37H24F6N4O2.Pt/c1-21-15-22(2)35(37(41,42)43)33(34(21)36(38,39)40)23-19-45-46(20-23)24-7-6-8-26(16-24)49-27-11-12-29-28-9-4-5-10-30(28)47(31(29)17-27)32-18-25(48-3)13-14-44-32;/h4-15,18-20H,1-3H3;/q-2;+2
• InChIKey: PRBIYXGKMFTEIC-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.69
LogP ≤ 5	10.08
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-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-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-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414290) is 2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-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-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-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-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)c(C)cc(C)c6C(F)(F)F)cn5)ccc4)ccc3c3ccccc32)c1.[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-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is PRBIYXGKMFTEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F6N4O2.Pt/c1-21-15-22(2)35(37(41,42)43)33(34(21)36(38,39)40)23-19-45-46(20-23)24-7-6-8-26(16-24)49-27-11-12-29-28-9-4-5-10-30(28)47(31(29)17-27)32-18-25(48-3)13-14-44-32;/h4-15,18-20H,1-3H3;/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-methoxy-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-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 865.69 g/mol, XLogP of 10.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).