2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))

C124H100F5N19O5Pt5 — CID 159655087

IUPAC2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))
SMILESC.C.C.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)n1.O=[Pt]=NNF.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C34H24N4O.C30H25N5O.C29H19F3N4O.C28H19FN4O.3CH4.FHN2.O.5Pt/c1-23-19-24(2)38(36-23)27-11-8-12-28(21-27)39-29-15-16-31-30-13-6-7-14-32(30)37(33(31)22-29)34-20-26(17-18-35-34)25-9-4-3-5-10-25;1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;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;1-18-14-19(2)33(31-18)21-6-5-7-22(16-21)34-23-10-11-25-24-8-3-4-9-26(24)32(27(25)17-23)28-15-20(29)12-13-30-28;;;;1-3-2;;;;;;/h3-20H,1-2H3;5-16,18H,1-4H3;3-15H,1-2H3;3-15H,1-2H3;3*1H4;3H;;;;;;/q4*-2;;;;;;;4*+2
InChIKeyFPKPPCQGRZWIMK-UHFFFAOYSA-N
MW3006.67 g/mol
LogP30.27
Rot. Bonds19

About 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))

2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)) (PubChem CID 159655087) has the molecular formula C124H100F5N19O5Pt5 and a molecular weight of 3006.67 g/mol. Its IUPAC name is 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))
PubChem CID159655087
Molecular FormulaC124H100F5N19O5Pt5
Molecular Weight3006.67 g/mol
Exact Mass3004.63
IUPAC Name2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))
SMILESC.C.C.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)n1.O=[Pt]=NNF.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C34H24N4O.C30H25N5O.C29H19F3N4O.C28H19FN4O.3CH4.FHN2.O.5Pt/c1-23-19-24(2)38(36-23)27-11-8-12-28(21-27)39-29-15-16-31-30-13-6-7-14-32(30)37(33(31)22-29)34-20-26(17-18-35-34)25-9-4-3-5-10-25;1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;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;1-18-14-19(2)33(31-18)21-6-5-7-22(16-21)34-23-10-11-25-24-8-3-4-9-26(24)32(27(25)17-23)28-15-20(29)12-13-30-28;;;;1-3-2;;;;;;/h3-20H,1-2H3;5-16,18H,1-4H3;3-15H,1-2H3;3-15H,1-2H3;3*1H4;3H;;;;;;/q4*-2;;;;;;;4*+2
InChIKeyFPKPPCQGRZWIMK-UHFFFAOYSA-N
XLogP30.27
TPSA224.18 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003006.67
LogP ≤ 530.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))?
The IUPAC name of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)) (CID 159655087) is 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))?
The canonical SMILES for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)) is C.C.C.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(F)(F)F)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)n1.O=[Pt]=NNF.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))?
The InChIKey is FPKPPCQGRZWIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4O.C30H25N5O.C29H19F3N4O.C28H19FN4O.3CH4.FHN2.O.5Pt/c1-23-19-24(2)38(36-23)27-11-8-12-28(21-27)39-29-15-16-31-30-13-6-7-14-32(30)37(33(31)22-29)34-20-26(17-18-35-34)25-9-4-3-5-10-25;1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;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;1-18-14-19(2)33(31-18)21-6-5-7-22(16-21)34-23-10-11-25-24-8-3-4-9-26(24)32(27(25)17-23)28-15-20(29)12-13-30-28;;;;1-3-2;;;;;;/h3-20H,1-2H3;5-16,18H,1-4H3;3-15H,1-2H3;3-15H,1-2H3;3*1H4;3H;;;;;;/q4*-2;;;;;;;4*+2.
What are the key properties of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+))?
2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)) has a molecular weight of 3006.67 g/mol, XLogP of 30.27, 19 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;(fluorohydrazinylidene)-oxoplatinum;methane;tetrakis(platinum(2+)) is sourced from PubChem (CID 159655087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).