1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))

C181H109F15N26O6Pt5S4 — CID 158683657

IUPAC1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))
SMILESCc1ccc2oc3c[c-]c(-n4cc(C)c(C(C)(C)c5nn(-c6[c-]cc7oc8ccc(C(F)(F)F)cc8c7c6)cc5C(F)(F)F)n4)cc3c2c1.Cc1ccc2oc3c[c-]c(-n4ccc(C(C)(C)c5ccn(-c6[c-]cc7oc8ccc(C(F)(F)F)cc8c7c6)n5)n4)cc3c2c1.[C-]#[N+]c1cn(-c2[c-]ccc3c2oc2c(C)cccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2oc2c(C(F)(F)F)cccc23)cc1C#N.[C-]#[N+]c1cn(-c2[c-]ccc3c2sc2c(C)cccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2sc2c(C(F)(F)F)cccc23)cc1C#N.[C-]#[N+]c1cn(-c2[c-]ccc3c2sc2ccccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2sc2ccccc23)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C37H24F6N4O2.C37H21F3N6O2.C37H21F3N6S2.C35H23F3N4O2.C35H20N6S2.5Pt/c1-19-5-9-29-24(13-19)26-15-22(7-11-31(26)48-29)46-17-20(2)33(44-46)35(3,4)34-28(37(41,42)43)18-47(45-34)23-8-12-32-27(16-23)25-14-21(36(38,39)40)6-10-30(25)49-32;2*1-20-9-5-10-22-24-12-7-16-29(32(24)47-30(20)22)46-19-27(42-4)35(44-46)36(2,3)34-21(17-41)18-45(43-34)28-15-8-13-25-23-11-6-14-26(37(38,39)40)31(23)48-33(25)28;1-20-4-8-28-24(16-20)26-18-22(6-10-30(26)43-28)41-14-12-32(39-41)34(2,3)33-13-15-42(40-33)23-7-11-31-27(19-23)25-17-21(35(36,37)38)5-9-29(25)44-31;1-35(2,33-21(18-36)19-40(38-33)27-14-8-12-24-22-10-4-6-16-29(22)42-31(24)27)34-26(37-3)20-41(39-34)28-15-9-13-25-23-11-5-7-17-30(23)43-32(25)28;;;;;/h5-6,9-18H,1-4H3;2*5-14,18-19H,1-3H3;4-5,8-19H,1-3H3;4-13,16-17,19-20H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyXTQKTLYFBRCDSL-UHFFFAOYSA-N
MW4132.67 g/mol
LogP48.68
Rot. Bonds20

About 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))

1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)) (PubChem CID 158683657) has the molecular formula C181H109F15N26O6Pt5S4 and a molecular weight of 4132.67 g/mol. Its IUPAC name is 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)).

Molecular Properties

Compound Name1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))
PubChem CID158683657
Molecular FormulaC181H109F15N26O6Pt5S4
Molecular Weight4132.67 g/mol
Exact Mass4129.59
IUPAC Name1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))
SMILESCc1ccc2oc3c[c-]c(-n4cc(C)c(C(C)(C)c5nn(-c6[c-]cc7oc8ccc(C(F)(F)F)cc8c7c6)cc5C(F)(F)F)n4)cc3c2c1.Cc1ccc2oc3c[c-]c(-n4ccc(C(C)(C)c5ccn(-c6[c-]cc7oc8ccc(C(F)(F)F)cc8c7c6)n5)n4)cc3c2c1.[C-]#[N+]c1cn(-c2[c-]ccc3c2oc2c(C)cccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2oc2c(C(F)(F)F)cccc23)cc1C#N.[C-]#[N+]c1cn(-c2[c-]ccc3c2sc2c(C)cccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2sc2c(C(F)(F)F)cccc23)cc1C#N.[C-]#[N+]c1cn(-c2[c-]ccc3c2sc2ccccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2sc2ccccc23)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C37H24F6N4O2.C37H21F3N6O2.C37H21F3N6S2.C35H23F3N4O2.C35H20N6S2.5Pt/c1-19-5-9-29-24(13-19)26-15-22(7-11-31(26)48-29)46-17-20(2)33(44-46)35(3,4)34-28(37(41,42)43)18-47(45-34)23-8-12-32-27(16-23)25-14-21(36(38,39)40)6-10-30(25)49-32;2*1-20-9-5-10-22-24-12-7-16-29(32(24)47-30(20)22)46-19-27(42-4)35(44-46)36(2,3)34-21(17-41)18-45(43-34)28-15-8-13-25-23-11-6-14-26(37(38,39)40)31(23)48-33(25)28;1-20-4-8-28-24(16-20)26-18-22(6-10-30(26)43-28)41-14-12-32(39-41)34(2,3)33-13-15-42(40-33)23-7-11-31-27(19-23)25-17-21(35(36,37)38)5-9-29(25)44-31;1-35(2,33-21(18-36)19-40(38-33)27-14-8-12-24-22-10-4-6-16-29(22)42-31(24)27)34-26(37-3)20-41(39-34)28-15-9-13-25-23-11-5-7-17-30(23)43-32(25)28;;;;;/h5-6,9-18H,1-4H3;2*5-14,18-19H,1-3H3;4-5,8-19H,1-3H3;4-13,16-17,19-20H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyXTQKTLYFBRCDSL-UHFFFAOYSA-N
XLogP48.68
TPSA341.49 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004132.67
LogP ≤ 548.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))?
The IUPAC name of 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)) (CID 158683657) is 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)).
What is the SMILES notation for 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))?
The canonical SMILES for 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)) is Cc1ccc2oc3c[c-]c(-n4cc(C)c(C(C)(C)c5nn(-c6[c-]cc7oc8ccc(C(F)(F)F)cc8c7c6)cc5C(F)(F)F)n4)cc3c2c1.Cc1ccc2oc3c[c-]c(-n4ccc(C(C)(C)c5ccn(-c6[c-]cc7oc8ccc(C(F)(F)F)cc8c7c6)n5)n4)cc3c2c1.[C-]#[N+]c1cn(-c2[c-]ccc3c2oc2c(C)cccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2oc2c(C(F)(F)F)cccc23)cc1C#N.[C-]#[N+]c1cn(-c2[c-]ccc3c2sc2c(C)cccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2sc2c(C(F)(F)F)cccc23)cc1C#N.[C-]#[N+]c1cn(-c2[c-]ccc3c2sc2ccccc23)nc1C(C)(C)c1nn(-c2[c-]ccc3c2sc2ccccc23)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))?
The InChIKey is XTQKTLYFBRCDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F6N4O2.C37H21F3N6O2.C37H21F3N6S2.C35H23F3N4O2.C35H20N6S2.5Pt/c1-19-5-9-29-24(13-19)26-15-22(7-11-31(26)48-29)46-17-20(2)33(44-46)35(3,4)34-28(37(41,42)43)18-47(45-34)23-8-12-32-27(16-23)25-14-21(36(38,39)40)6-10-30(25)49-32;2*1-20-9-5-10-22-24-12-7-16-29(32(24)47-30(20)22)46-19-27(42-4)35(44-46)36(2,3)34-21(17-41)18-45(43-34)28-15-8-13-25-23-11-6-14-26(37(38,39)40)31(23)48-33(25)28;1-20-4-8-28-24(16-20)26-18-22(6-10-30(26)43-28)41-14-12-32(39-41)34(2,3)33-13-15-42(40-33)23-7-11-31-27(19-23)25-17-21(35(36,37)38)5-9-29(25)44-31;1-35(2,33-21(18-36)19-40(38-33)27-14-8-12-24-22-10-4-6-16-29(22)42-31(24)27)34-26(37-3)20-41(39-34)28-15-9-13-25-23-11-5-7-17-30(23)43-32(25)28;;;;;/h5-6,9-18H,1-4H3;2*5-14,18-19H,1-3H3;4-5,8-19H,1-3H3;4-13,16-17,19-20H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+))?
1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)) has a molecular weight of 4132.67 g/mol, XLogP of 48.68, 20 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzothiophen-3-id-4-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-4-yl)-4-isocyanopyrazol-3-yl]propan-2-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazole-4-carbonitrile;3-[2-[4-isocyano-1-(6-methyl-3H-dibenzothiophen-3-id-4-yl)pyrazol-3-yl]propan-2-yl]-1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazole-4-carbonitrile;1-(8-methyl-3H-dibenzofuran-3-id-2-yl)-3-[2-[1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-[4-methyl-1-(8-methyl-3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)-1-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-2-yl]pyrazole;pentakis(platinum(2+)) is sourced from PubChem (CID 158683657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).