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

C37H24F6N4OPt — CID 153412849

About 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412849) has the molecular formula C37H24F6N4OPt and a molecular weight of 849.69 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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412849
• Molecular Formula: C37H24F6N4OPt
• Molecular Weight: 849.69 g/mol
• Exact Mass: 849.15
• IUPAC Name: 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1ccnc(-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/C37H24F6N4O.Pt/c1-22(2)23-15-16-44-34(17-23)47-32-12-4-3-9-28(32)29-14-13-27(19-33(29)47)48-26-8-5-7-25(18-26)46-21-24(20-45-46)35-30(36(38,39)40)10-6-11-31(35)37(41,42)43;/h3-17,20-22H,1-2H3;/q-2;+2
• InChIKey: QBJHSRQDZHLTLD-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.69
LogP ≤ 5	10.58
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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412849) is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC(C)c1ccnc(-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is QBJHSRQDZHLTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F6N4O.Pt/c1-22(2)23-15-16-44-34(17-23)47-32-12-4-3-9-28(32)29-14-13-27(19-33(29)47)48-26-8-5-7-25(18-26)46-21-24(20-45-46)35-30(36(38,39)40)10-6-11-31(35)37(41,42)43;/h3-17,20-22H,1-2H3;/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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 849.69 g/mol, XLogP of 10.58, 6 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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).