2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))

C169H154F24N16O4Pt4 — CID 161023845

IUPAC2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c([C@@H]6C(C(F)(F)F)=CCC[C@@H]6C(F)(F)F)c5C)ccc4)ccc3c3ccccc32)c1.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C(C)C)ccn3)ccc2)c(CC(C)C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)(C)C)ccn3)ccc2)c(C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C44H42F6N4O.C41H36F6N4O.C40H34F6N4O.4Pt/c1-25-39(40-34(43(45,46)47)13-11-14-35(40)44(48,49)50)26(2)54(52-25)29-20-28(42(6,7)8)21-31(23-29)55-30-16-17-33-32-12-9-10-15-36(32)53(37(33)24-30)38-22-27(18-19-51-38)41(3,4)5;1-25(2)21-39-41(42-35(43(45,46)47)14-10-15-36(42)44(48,49)50)28(6)52-54(39)30-11-9-12-31(23-30)55-32-17-18-34-33-13-7-8-16-37(33)53(38(34)24-32)40-22-29(19-20-51-40)27(5)26(3)4;1-24-37(38-32(40(42,43)44)13-9-14-33(38)41(45,46)47)25(2)51(49-24)27-10-8-11-28(21-27)52-29-16-17-31-30-12-6-7-15-34(30)50(35(31)22-29)36-20-26(18-19-48-36)23-39(3,4)5;1-4-5-10-26-19-20-47-36(21-26)49-34-16-7-6-13-30(34)31-18-17-29(23-35(31)49)51-28-12-8-11-27(22-28)50-25(3)37(24(2)48-50)38-32(39(41,42)43)14-9-15-33(38)40(44,45)46;;;;/h9-10,12-13,15-22,35,40H,11,14H2,1-8H3;7-9,11-14,16-20,22,25-27,36,42H,10,15,21H2,1-6H3;6-8,10-13,15-20,33,38H,9,14,23H2,1-5H3;6-8,11-14,16-21,33,38H,4-5,9-10,15H2,1-3H3;;;;/q4*-2;4*+2/t35-,40+;27?,36-,42+;2*33-,38+;;;;/m0000..../s1
InChIKeyKRFLMBWLHOVEFG-SYXPEHHPSA-N
MW3709.46 g/mol
LogP47.84
Rot. Bonds28

About 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))

2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 161023845) has the molecular formula C169H154F24N16O4Pt4 and a molecular weight of 3709.46 g/mol. Its IUPAC name is 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))
PubChem CID161023845
Molecular FormulaC169H154F24N16O4Pt4
Molecular Weight3709.46 g/mol
Exact Mass3707.05
IUPAC Name2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c([C@@H]6C(C(F)(F)F)=CCC[C@@H]6C(F)(F)F)c5C)ccc4)ccc3c3ccccc32)c1.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C(C)C)ccn3)ccc2)c(CC(C)C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)(C)C)ccn3)ccc2)c(C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C44H42F6N4O.C41H36F6N4O.C40H34F6N4O.4Pt/c1-25-39(40-34(43(45,46)47)13-11-14-35(40)44(48,49)50)26(2)54(52-25)29-20-28(42(6,7)8)21-31(23-29)55-30-16-17-33-32-12-9-10-15-36(32)53(37(33)24-30)38-22-27(18-19-51-38)41(3,4)5;1-25(2)21-39-41(42-35(43(45,46)47)14-10-15-36(42)44(48,49)50)28(6)52-54(39)30-11-9-12-31(23-30)55-32-17-18-34-33-13-7-8-16-37(33)53(38(34)24-32)40-22-29(19-20-51-40)27(5)26(3)4;1-24-37(38-32(40(42,43)44)13-9-14-33(38)41(45,46)47)25(2)51(49-24)27-10-8-11-28(21-27)52-29-16-17-31-30-12-6-7-15-34(30)50(35(31)22-29)36-20-26(18-19-48-36)23-39(3,4)5;1-4-5-10-26-19-20-47-36(21-26)49-34-16-7-6-13-30(34)31-18-17-29(23-35(31)49)51-28-12-8-11-27(22-28)50-25(3)37(24(2)48-50)38-32(39(41,42)43)14-9-15-33(38)40(44,45)46;;;;/h9-10,12-13,15-22,35,40H,11,14H2,1-8H3;7-9,11-14,16-20,22,25-27,36,42H,10,15,21H2,1-6H3;6-8,10-13,15-20,33,38H,9,14,23H2,1-5H3;6-8,11-14,16-21,33,38H,4-5,9-10,15H2,1-3H3;;;;/q4*-2;4*+2/t35-,40+;27?,36-,42+;2*33-,38+;;;;/m0000..../s1
InChIKeyKRFLMBWLHOVEFG-SYXPEHHPSA-N
XLogP47.84
TPSA179.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003709.46
LogP ≤ 547.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 140742611
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760911
2,7-bis[[4-(1,1,2,2,2-pentafluoroethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760985
2,7-bis[[9-pyridin-2-yl-4-(2,2,2-trifluoroethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761007
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[6-(trifluoromethyl)-1,2,4,5-tetrazin-3-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761050
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153412849
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413219
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413287
2-[3-fluoro-5-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413321
9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153413451
2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413514
2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413552

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The IUPAC name of 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) (CID 161023845) is 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The canonical SMILES for 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) is CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c([C@@H]6C(C(F)(F)F)=CCC[C@@H]6C(F)(F)F)c5C)ccc4)ccc3c3ccccc32)c1.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C(C)C)ccn3)ccc2)c(CC(C)C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)(C)C)ccn3)ccc2)c(C)c1[C@@H]1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The InChIKey is KRFLMBWLHOVEFG-SYXPEHHPSA-N. The full InChI is InChI=1S/2C44H42F6N4O.C41H36F6N4O.C40H34F6N4O.4Pt/c1-25-39(40-34(43(45,46)47)13-11-14-35(40)44(48,49)50)26(2)54(52-25)29-20-28(42(6,7)8)21-31(23-29)55-30-16-17-33-32-12-9-10-15-36(32)53(37(33)24-30)38-22-27(18-19-51-38)41(3,4)5;1-25(2)21-39-41(42-35(43(45,46)47)14-10-15-36(42)44(48,49)50)28(6)52-54(39)30-11-9-12-31(23-30)55-32-17-18-34-33-13-7-8-16-37(33)53(38(34)24-32)40-22-29(19-20-51-40)27(5)26(3)4;1-24-37(38-32(40(42,43)44)13-9-14-33(38)41(45,46)47)25(2)51(49-24)27-10-8-11-28(21-27)52-29-16-17-31-30-12-6-7-15-34(30)50(35(31)22-29)36-20-26(18-19-48-36)23-39(3,4)5;1-4-5-10-26-19-20-47-36(21-26)49-34-16-7-6-13-30(34)31-18-17-29(23-35(31)49)51-28-12-8-11-27(22-28)50-25(3)37(24(2)48-50)38-32(39(41,42)43)14-9-15-33(38)40(44,45)46;;;;/h9-10,12-13,15-22,35,40H,11,14H2,1-8H3;7-9,11-14,16-20,22,25-27,36,42H,10,15,21H2,1-6H3;6-8,10-13,15-20,33,38H,9,14,23H2,1-5H3;6-8,11-14,16-21,33,38H,4-5,9-10,15H2,1-3H3;;;;/q4*-2;4*+2/t35-,40+;27?,36-,42+;2*33-,38+;;;;/m0000..../s1.
What are the key properties of 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))?
2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) has a molecular weight of 3709.46 g/mol, XLogP of 47.84, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[(1R,6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 161023845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).