2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))

C174H140N16O8Pt4 — CID 157191595

IUPAC2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))
SMILESCCc1cccc(CC)c1-c1c(Oc2ccccc2)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)c(C)cc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)ccc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)ccc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C44H36N4O2.2C43H34N4O2.4Pt/c1-27-21-22-45-41(23-27)47-39-18-11-10-17-37(39)38-20-19-36(26-40(38)47)49-35-16-12-13-33(25-35)48-32(6)43(42-30(4)28(2)24-29(3)31(42)5)44(46-48)50-34-14-8-7-9-15-34;1-5-31-14-12-15-32(6-2)43(31)42-30(4)48(46-44(42)50-34-17-8-7-9-18-34)33-16-13-19-35(27-33)49-36-22-23-38-37-20-10-11-21-39(37)47(40(38)28-36)41-26-29(3)24-25-45-41;2*1-27-22-23-44-40(24-27)46-38-17-10-9-16-36(38)37-21-20-35(26-39(37)46)48-34-15-11-12-32(25-34)47-31(5)42(41-29(3)19-18-28(2)30(41)4)43(45-47)49-33-13-7-6-8-14-33;;;;/h7-24H,1-6H3;7-26H,5-6H2,1-4H3;2*6-24H,1-5H3;;;;/q4*-2;4*+2
InChIKeyVXIXRJRGFBRCFZ-UHFFFAOYSA-N
MW3363.45 g/mol
LogP43.53
Rot. Bonds30

About 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))

2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)) (PubChem CID 157191595) has the molecular formula C174H140N16O8Pt4 and a molecular weight of 3363.45 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))
PubChem CID157191595
Molecular FormulaC174H140N16O8Pt4
Molecular Weight3363.45 g/mol
Exact Mass3360.96
IUPAC Name2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))
SMILESCCc1cccc(CC)c1-c1c(Oc2ccccc2)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)c(C)cc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)ccc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)ccc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C44H36N4O2.2C43H34N4O2.4Pt/c1-27-21-22-45-41(23-27)47-39-18-11-10-17-37(39)38-20-19-36(26-40(38)47)49-35-16-12-13-33(25-35)48-32(6)43(42-30(4)28(2)24-29(3)31(42)5)44(46-48)50-34-14-8-7-9-15-34;1-5-31-14-12-15-32(6-2)43(31)42-30(4)48(46-44(42)50-34-17-8-7-9-18-34)33-16-13-19-35(27-33)49-36-22-23-38-37-20-10-11-21-39(37)47(40(38)28-36)41-26-29(3)24-25-45-41;2*1-27-22-23-44-40(24-27)46-38-17-10-9-16-36(38)37-21-20-35(26-39(37)46)48-34-15-11-12-32(25-34)47-31(5)42(41-29(3)19-18-28(2)30(41)4)43(45-47)49-33-13-7-6-8-14-33;;;;/h7-24H,1-6H3;7-26H,5-6H2,1-4H3;2*6-24H,1-5H3;;;;/q4*-2;4*+2
InChIKeyVXIXRJRGFBRCFZ-UHFFFAOYSA-N
XLogP43.53
TPSA216.40 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms202
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003363.45
LogP ≤ 543.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))?
The IUPAC name of 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)) (CID 157191595) is 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))?
The canonical SMILES for 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)) is CCc1cccc(CC)c1-c1c(Oc2ccccc2)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)c(C)cc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)ccc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(Oc6ccccc6)c(-c6c(C)ccc(C)c6C)c5C)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))?
The InChIKey is VXIXRJRGFBRCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H36N4O2.2C43H34N4O2.4Pt/c1-27-21-22-45-41(23-27)47-39-18-11-10-17-37(39)38-20-19-36(26-40(38)47)49-35-16-12-13-33(25-35)48-32(6)43(42-30(4)28(2)24-29(3)31(42)5)44(46-48)50-34-14-8-7-9-15-34;1-5-31-14-12-15-32(6-2)43(31)42-30(4)48(46-44(42)50-34-17-8-7-9-18-34)33-16-13-19-35(27-33)49-36-22-23-38-37-20-10-11-21-39(37)47(40(38)28-36)41-26-29(3)24-25-45-41;2*1-27-22-23-44-40(24-27)46-38-17-10-9-16-36(38)37-21-20-35(26-39(37)46)48-34-15-11-12-32(25-34)47-31(5)42(41-29(3)19-18-28(2)30(41)4)43(45-47)49-33-13-7-6-8-14-33;;;;/h7-24H,1-6H3;7-26H,5-6H2,1-4H3;2*6-24H,1-5H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+))?
2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)) has a molecular weight of 3363.45 g/mol, XLogP of 43.53, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-diethylphenyl)-5-methyl-3-phenoxypyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-methyl-3-phenoxy-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(2-[3-[5-methyl-3-phenoxy-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);tetrakis(platinum(2+)) is sourced from PubChem (CID 157191595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).