2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))

C124H110F3N19O6Pt5 — CID 159930770

IUPAC2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))
SMILESC.C.C.COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)c1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)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-c3ncccn3)ccc2)n1.NN=[Pt]=O.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H36N4O.C29H19F3N4O.C29H22N4O2.C27H19N5O.3CH4.H2N2.O.5Pt/c1-23-17-24(2)40(38-23)27-18-26(36(6,7)8)19-29(21-27)41-28-13-14-31-30-11-9-10-12-32(30)39(33(31)22-28)34-20-25(15-16-37-34)35(3,4)5;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;1-19-15-20(2)33(31-19)21-7-6-8-23(16-21)35-24-11-12-26-25-9-4-5-10-27(25)32(28(26)17-24)29-18-22(34-3)13-14-30-29;1-18-15-19(2)32(30-18)20-7-5-8-21(16-20)33-22-11-12-24-23-9-3-4-10-25(23)31(26(24)17-22)27-28-13-6-14-29-27;;;;1-2;;;;;;/h9-20H,1-8H3;3-15H,1-2H3;4-15,18H,1-3H3;3-15H,1-2H3;3*1H4;1H2;;;;;;/q4*-2;;;;;;;4*+2
InChIKeyZVNOWINHSZQJAD-UHFFFAOYSA-N
MW2994.75 g/mol
LogP29.88
Rot. Bonds17

About 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))

2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)) (PubChem CID 159930770) has the molecular formula C124H110F3N19O6Pt5 and a molecular weight of 2994.75 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))
PubChem CID159930770
Molecular FormulaC124H110F3N19O6Pt5
Molecular Weight2994.75 g/mol
Exact Mass2992.71
IUPAC Name2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))
SMILESC.C.C.COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)c1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)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-c3ncccn3)ccc2)n1.NN=[Pt]=O.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H36N4O.C29H19F3N4O.C29H22N4O2.C27H19N5O.3CH4.H2N2.O.5Pt/c1-23-17-24(2)40(38-23)27-18-26(36(6,7)8)19-29(21-27)41-28-13-14-31-30-11-9-10-12-32(30)39(33(31)22-28)34-20-25(15-16-37-34)35(3,4)5;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;1-19-15-20(2)33(31-19)21-7-6-8-23(16-21)35-24-11-12-26-25-9-4-5-10-27(25)32(28(26)17-24)29-18-22(34-3)13-14-30-29;1-18-15-19(2)32(30-18)20-7-5-8-21(16-20)33-22-11-12-24-23-9-3-4-10-25(23)31(26(24)17-22)27-28-13-6-14-29-27;;;;1-2;;;;;;/h9-20H,1-8H3;3-15H,1-2H3;4-15,18H,1-3H3;3-15H,1-2H3;3*1H4;1H2;;;;;;/q4*-2;;;;;;;4*+2
InChIKeyZVNOWINHSZQJAD-UHFFFAOYSA-N
XLogP29.88
TPSA257.05 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002994.75
LogP ≤ 529.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))?
The IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)) (CID 159930770) is 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))?
The canonical SMILES for 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)) is C.C.C.COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)c1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)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-c3ncccn3)ccc2)n1.NN=[Pt]=O.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))?
The InChIKey is ZVNOWINHSZQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O.C29H19F3N4O.C29H22N4O2.C27H19N5O.3CH4.H2N2.O.5Pt/c1-23-17-24(2)40(38-23)27-18-26(36(6,7)8)19-29(21-27)41-28-13-14-31-30-11-9-10-12-32(30)39(33(31)22-28)34-20-25(15-16-37-34)35(3,4)5;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;1-19-15-20(2)33(31-19)21-7-6-8-23(16-21)35-24-11-12-26-25-9-4-5-10-27(25)32(28(26)17-24)29-18-22(34-3)13-14-30-29;1-18-15-19(2)32(30-18)20-7-5-8-21(16-20)33-22-11-12-24-23-9-3-4-10-25(23)31(26(24)17-22)27-28-13-6-14-29-27;;;;1-2;;;;;;/h9-20H,1-8H3;3-15H,1-2H3;4-15,18H,1-3H3;3-15H,1-2H3;3*1H4;1H2;;;;;;/q4*-2;;;;;;;4*+2.
What are the key properties of 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+))?
2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)) has a molecular weight of 2994.75 g/mol, XLogP of 29.88, 17 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-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;hydrazinylidene(oxo)platinum;methane;tetrakis(platinum(2+)) is sourced from PubChem (CID 159930770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).