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

C36H22F6N4O2Pt — CID 153414296

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

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414296) has the molecular formula C36H22F6N4O2Pt and a molecular weight of 851.66 g/mol. Its IUPAC name is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414296
• Molecular Formula: C36H22F6N4O2Pt
• Molecular Weight: 851.66 g/mol
• Exact Mass: 851.13
• IUPAC Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)cc(C)cc6C(F)(F)F)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C36H22F6N4O2.Pt/c1-21-14-29(35(37,38)39)34(30(15-21)36(40,41)42)22-19-44-45(20-22)23-6-5-7-25(16-23)48-26-10-11-28-27-8-3-4-9-31(27)46(32(28)17-26)33-18-24(47-2)12-13-43-33;/h3-15,18-20H,1-2H3;/q-2;+2
• InChIKey: GHAOHNVIVQJSDF-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.66
LogP ≤ 5	9.78
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 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153414296) is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)cc(C)cc6C(F)(F)F)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is GHAOHNVIVQJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F6N4O2.Pt/c1-21-14-29(35(37,38)39)34(30(15-21)36(40,41)42)22-19-44-45(20-22)23-6-5-7-25(16-23)48-26-10-11-28-27-8-3-4-9-31(27)46(32(28)17-26)33-18-24(47-2)12-13-43-33;/h3-15,18-20H,1-2H3;/q-2;+2.

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

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 851.66 g/mol, XLogP of 9.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).