2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))

C143H92F6N20O4Pt4 — CID 160881667

IUPAC2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6ccncn6)c(-c6ccccc6)c5-c5ccncn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5F)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(F)c(-c6ccccc6)c5F)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C41H26N8O.C35H23F3N4O.C34H23FN4O.C33H20F2N4O.4Pt/c1-27-16-21-44-38(22-27)48-36-13-6-5-12-32(36)33-15-14-31(24-37(33)48)50-30-11-7-10-29(23-30)49-41(35-18-20-43-26-46-35)39(28-8-3-2-4-9-28)40(47-49)34-17-19-42-25-45-34;1-22-17-18-39-32(19-22)41-30-14-7-6-13-28(30)29-16-15-27(21-31(29)41)43-26-12-8-11-25(20-26)42-34(35(36,37)38)33(23(2)40-42)24-9-4-3-5-10-24;1-22-17-18-36-32(19-22)38-30-14-7-6-13-28(30)29-16-15-27(21-31(29)38)40-26-12-8-11-25(20-26)39-34(35)33(23(2)37-39)24-9-4-3-5-10-24;1-21-16-17-36-30(18-21)38-28-13-6-5-12-26(28)27-15-14-25(20-29(27)38)40-24-11-7-10-23(19-24)39-33(35)31(32(34)37-39)22-8-3-2-4-9-22;;;;/h2-22,25-26H,1H3;3-19H,1-2H3;3-19H,1-2H3;2-18H,1H3;;;;/q4*-2;4*+2
InChIKeyFVSSZPRNRRRIKB-UHFFFAOYSA-N
MW3048.74 g/mol
LogP33.89
Rot. Bonds22

About 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))

2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 160881667) has the molecular formula C143H92F6N20O4Pt4 and a molecular weight of 3048.74 g/mol. Its IUPAC name is 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))
PubChem CID160881667
Molecular FormulaC143H92F6N20O4Pt4
Molecular Weight3048.74 g/mol
Exact Mass3046.61
IUPAC Name2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6ccncn6)c(-c6ccccc6)c5-c5ccncn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5F)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(F)c(-c6ccccc6)c5F)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C41H26N8O.C35H23F3N4O.C34H23FN4O.C33H20F2N4O.4Pt/c1-27-16-21-44-38(22-27)48-36-13-6-5-12-32(36)33-15-14-31(24-37(33)48)50-30-11-7-10-29(23-30)49-41(35-18-20-43-26-46-35)39(28-8-3-2-4-9-28)40(47-49)34-17-19-42-25-45-34;1-22-17-18-39-32(19-22)41-30-14-7-6-13-28(30)29-16-15-27(21-31(29)41)43-26-12-8-11-25(20-26)42-34(35(36,37)38)33(23(2)40-42)24-9-4-3-5-10-24;1-22-17-18-36-32(19-22)38-30-14-7-6-13-28(30)29-16-15-27(21-31(29)38)40-26-12-8-11-25(20-26)39-34(35)33(23(2)37-39)24-9-4-3-5-10-24;1-21-16-17-36-30(18-21)38-28-13-6-5-12-26(28)27-15-14-25(20-29(27)38)40-24-11-7-10-23(19-24)39-33(35)31(32(34)37-39)22-8-3-2-4-9-22;;;;/h2-22,25-26H,1H3;3-19H,1-2H3;3-19H,1-2H3;2-18H,1H3;;;;/q4*-2;4*+2
InChIKeyFVSSZPRNRRRIKB-UHFFFAOYSA-N
XLogP33.89
TPSA231.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms177
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003048.74
LogP ≤ 533.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The IUPAC name of 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) (CID 160881667) is 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The canonical SMILES for 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6ccncn6)c(-c6ccccc6)c5-c5ccncn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5F)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(F)c(-c6ccccc6)c5F)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The InChIKey is FVSSZPRNRRRIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N8O.C35H23F3N4O.C34H23FN4O.C33H20F2N4O.4Pt/c1-27-16-21-44-38(22-27)48-36-13-6-5-12-32(36)33-15-14-31(24-37(33)48)50-30-11-7-10-29(23-30)49-41(35-18-20-43-26-46-35)39(28-8-3-2-4-9-28)40(47-49)34-17-19-42-25-45-34;1-22-17-18-39-32(19-22)41-30-14-7-6-13-28(30)29-16-15-27(21-31(29)41)43-26-12-8-11-25(20-26)42-34(35(36,37)38)33(23(2)40-42)24-9-4-3-5-10-24;1-22-17-18-36-32(19-22)38-30-14-7-6-13-28(30)29-16-15-27(21-31(29)38)40-26-12-8-11-25(20-26)39-34(35)33(23(2)37-39)24-9-4-3-5-10-24;1-21-16-17-36-30(18-21)38-28-13-6-5-12-26(28)27-15-14-25(20-29(27)38)40-24-11-7-10-23(19-24)39-33(35)31(32(34)37-39)22-8-3-2-4-9-22;;;;/h2-22,25-26H,1H3;3-19H,1-2H3;3-19H,1-2H3;2-18H,1H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))?
2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) has a molecular weight of 3048.74 g/mol, XLogP of 33.89, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluoro-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-fluoro-3-methyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(pyrimidin-4-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 160881667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).