2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)

C88H66BrF9N12O3Pt — CID 161148189

IUPAC2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)
SMILESC.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c(c3)[nH]c3ccccc34)c2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(F)(F)F)ccn5)c4c3)c2)n1.FC(F)(F)c1ccnc(Br)c1.[Pt+2]
InChIInChI=1S/C29H21F3N4O.C29H19F3N4O.C23H19N3O.C6H3BrF3N.CH4.Pt/c2*1-18-14-19(2)36(34-18)21-6-5-7-22(16-21)37-23-10-11-25-24-8-3-4-9-26(24)35(27(25)17-23)28-15-20(12-13-33-28)29(30,31)32;1-15-12-16(2)26(25-15)17-6-5-7-18(13-17)27-19-10-11-21-20-8-3-4-9-22(20)24-23(21)14-19;7-5-3-4(1-2-11-5)6(8,9)10;;/h3-17H,1-2H3;3-15H,1-2H3;3-14,24H,1-2H3;1-3H;1H4;/q;-2;;;;+2
InChIKeyUPWNOLNZJPISGU-UHFFFAOYSA-N
MW1785.54 g/mol
LogP24.60
Rot. Bonds11

About 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)

2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+) (PubChem CID 161148189) has the molecular formula C88H66BrF9N12O3Pt and a molecular weight of 1785.54 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+).

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)
PubChem CID161148189
Molecular FormulaC88H66BrF9N12O3Pt
Molecular Weight1785.54 g/mol
Exact Mass1783.41
IUPAC Name2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)
SMILESC.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c(c3)[nH]c3ccccc34)c2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(F)(F)F)ccn5)c4c3)c2)n1.FC(F)(F)c1ccnc(Br)c1.[Pt+2]
InChIInChI=1S/C29H21F3N4O.C29H19F3N4O.C23H19N3O.C6H3BrF3N.CH4.Pt/c2*1-18-14-19(2)36(34-18)21-6-5-7-22(16-21)37-23-10-11-25-24-8-3-4-9-26(24)35(27(25)17-23)28-15-20(12-13-33-28)29(30,31)32;1-15-12-16(2)26(25-15)17-6-5-7-18(13-17)27-19-10-11-21-20-8-3-4-9-22(20)24-23(21)14-19;7-5-3-4(1-2-11-5)6(8,9)10;;/h3-17H,1-2H3;3-15H,1-2H3;3-14,24H,1-2H3;1-3H;1H4;/q;-2;;;;+2
InChIKeyUPWNOLNZJPISGU-UHFFFAOYSA-N
XLogP24.60
TPSA145.47 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms114
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001785.54
LogP ≤ 524.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)?
The IUPAC name of 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+) (CID 161148189) is 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+).
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+) is C.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c(c3)[nH]c3ccccc34)c2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(F)(F)F)ccn5)c4c3)c2)n1.FC(F)(F)c1ccnc(Br)c1.[Pt+2].
What is the InChIKey of 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)?
The InChIKey is UPWNOLNZJPISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O.C29H19F3N4O.C23H19N3O.C6H3BrF3N.CH4.Pt/c2*1-18-14-19(2)36(34-18)21-6-5-7-22(16-21)37-23-10-11-25-24-8-3-4-9-26(24)35(27(25)17-23)28-15-20(12-13-33-28)29(30,31)32;1-15-12-16(2)26(25-15)17-6-5-7-18(13-17)27-19-10-11-21-20-8-3-4-9-22(20)24-23(21)14-19;7-5-3-4(1-2-11-5)6(8,9)10;;/h3-17H,1-2H3;3-15H,1-2H3;3-14,24H,1-2H3;1-3H;1H4;/q;-2;;;;+2.
What are the key properties of 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+)?
2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+) has a molecular weight of 1785.54 g/mol, XLogP of 24.60, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)pyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole;methane;platinum(2+) is sourced from PubChem (CID 161148189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).