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

C₃₇H₂₄F₆N₄OPt — CID 153414369

About 2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414369) has the molecular formula C₃₇H₂₄F₆N₄OPt and a molecular weight of 849.69 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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414369
• Molecular Formula: C₃₇H₂₄F₆N₄OPt
• Molecular Weight: 849.69 g/mol
• Exact Mass: 849.15
• IUPAC Name: 2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-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/C37H24F6N4O.Pt/c1-21-13-14-44-32(15-21)47-30-10-5-4-9-28(30)29-12-11-27(18-31(29)47)48-26-8-6-7-25(17-26)46-20-24(19-45-46)33-34(36(38,39)40)22(2)16-23(3)35(33)37(41,42)43;/h4-16,19-20H,1-3H3;/q-2;+2
• InChIKey: SDWXLWYMIUVMDM-UHFFFAOYSA-N
• XLogP: 10.38
• 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	849.69
LogP ≤ 5	10.38
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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414369) is 2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is SDWXLWYMIUVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F6N4O.Pt/c1-21-13-14-44-32(15-21)47-30-10-5-4-9-28(30)29-12-11-27(18-31(29)47)48-26-8-6-7-25(17-26)46-20-24(19-45-46)33-34(36(38,39)40)22(2)16-23(3)35(33)37(41,42)43;/h4-16,19-20H,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-methyl-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-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 849.69 g/mol, XLogP of 10.38, 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-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153414369 — identifiers, structure, computed properties (public domain)

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