14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))

C205H139F5N16O2Pd5S2Si — CID 157159904

IUPAC14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))
SMILESCC1(C)c2cc3c(cc2N(c2[c-]c(C(F)c4[c-]c(-c5ccccn5)ccc4)ccc2)c2ncccc21)oc1ccccc13.CC1(C)c2cc3c(cc2N(c2[c-]c(C(F)c4[c-]c(-c5ccccn5)ccc4)ccc2)c2ncccc21)sc1ccccc13.CC1(C)c2cc3oc4ccccc4c3cc2N(c2[c-]c(C(F)c3[c-]c(-c4ccccn4)ccc3)ccc2)c2ncccc21.CC1(C)c2cc3sc4ccccc4c3cc2N(c2[c-]c(C(F)c3[c-]c(-c4ccccn4)ccc3)ccc2)c2ncccc21.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(N2c3cc4c5ccccc5n(-c5ccccc5)c4cc3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C53H35FN4Si.2C38H26FN3O.2C38H26FN3S.5Pd/c54-52(38-18-14-17-37(33-38)46-28-12-13-31-55-46)39-19-15-22-41(34-39)58-49-35-45-44-27-10-11-29-47(44)57(40-20-4-1-5-21-40)48(45)36-51(49)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)50-30-16-32-56-53(50)58;1-38(2)30-15-9-19-41-37(30)42(33-22-29-28-14-3-4-17-34(28)43-35(29)23-31(33)38)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-23-35-29(22-31(33)38)28-14-3-4-17-34(28)43-35)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-22-29-28-14-3-4-17-34(28)43-35(29)23-31(33)38)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-23-35-29(22-31(33)38)28-14-3-4-17-34(28)43-35)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;;;;;/h1-32,35-36,52H;4*3-19,22-23,36H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyIYUPRMJPMVVUSM-UHFFFAOYSA-N
MW3577.79 g/mol
LogP50.23
Rot. Bonds23

About 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))

14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)) (PubChem CID 157159904) has the molecular formula C205H139F5N16O2Pd5S2Si and a molecular weight of 3577.79 g/mol. Its IUPAC name is 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)).

Molecular Properties

Compound Name14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))
PubChem CID157159904
Molecular FormulaC205H139F5N16O2Pd5S2Si
Molecular Weight3577.79 g/mol
Exact Mass3572.56
IUPAC Name14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))
SMILESCC1(C)c2cc3c(cc2N(c2[c-]c(C(F)c4[c-]c(-c5ccccn5)ccc4)ccc2)c2ncccc21)oc1ccccc13.CC1(C)c2cc3c(cc2N(c2[c-]c(C(F)c4[c-]c(-c5ccccn5)ccc4)ccc2)c2ncccc21)sc1ccccc13.CC1(C)c2cc3oc4ccccc4c3cc2N(c2[c-]c(C(F)c3[c-]c(-c4ccccn4)ccc3)ccc2)c2ncccc21.CC1(C)c2cc3sc4ccccc4c3cc2N(c2[c-]c(C(F)c3[c-]c(-c4ccccn4)ccc3)ccc2)c2ncccc21.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(N2c3cc4c5ccccc5n(-c5ccccc5)c4cc3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C53H35FN4Si.2C38H26FN3O.2C38H26FN3S.5Pd/c54-52(38-18-14-17-37(33-38)46-28-12-13-31-55-46)39-19-15-22-41(34-39)58-49-35-45-44-27-10-11-29-47(44)57(40-20-4-1-5-21-40)48(45)36-51(49)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)50-30-16-32-56-53(50)58;1-38(2)30-15-9-19-41-37(30)42(33-22-29-28-14-3-4-17-34(28)43-35(29)23-31(33)38)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-23-35-29(22-31(33)38)28-14-3-4-17-34(28)43-35)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-22-29-28-14-3-4-17-34(28)43-35(29)23-31(33)38)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-23-35-29(22-31(33)38)28-14-3-4-17-34(28)43-35)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;;;;;/h1-32,35-36,52H;4*3-19,22-23,36H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyIYUPRMJPMVVUSM-UHFFFAOYSA-N
XLogP50.23
TPSA176.31 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003577.79
LogP ≤ 550.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
The IUPAC name of 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)) (CID 157159904) is 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)).
What is the SMILES notation for 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
The canonical SMILES for 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)) is CC1(C)c2cc3c(cc2N(c2[c-]c(C(F)c4[c-]c(-c5ccccn5)ccc4)ccc2)c2ncccc21)oc1ccccc13.CC1(C)c2cc3c(cc2N(c2[c-]c(C(F)c4[c-]c(-c5ccccn5)ccc4)ccc2)c2ncccc21)sc1ccccc13.CC1(C)c2cc3oc4ccccc4c3cc2N(c2[c-]c(C(F)c3[c-]c(-c4ccccn4)ccc3)ccc2)c2ncccc21.CC1(C)c2cc3sc4ccccc4c3cc2N(c2[c-]c(C(F)c3[c-]c(-c4ccccn4)ccc3)ccc2)c2ncccc21.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(N2c3cc4c5ccccc5n(-c5ccccc5)c4cc3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
The InChIKey is IYUPRMJPMVVUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35FN4Si.2C38H26FN3O.2C38H26FN3S.5Pd/c54-52(38-18-14-17-37(33-38)46-28-12-13-31-55-46)39-19-15-22-41(34-39)58-49-35-45-44-27-10-11-29-47(44)57(40-20-4-1-5-21-40)48(45)36-51(49)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)50-30-16-32-56-53(50)58;1-38(2)30-15-9-19-41-37(30)42(33-22-29-28-14-3-4-17-34(28)43-35(29)23-31(33)38)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-23-35-29(22-31(33)38)28-14-3-4-17-34(28)43-35)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-22-29-28-14-3-4-17-34(28)43-35(29)23-31(33)38)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;1-38(2)30-15-9-19-41-37(30)42(33-23-35-29(22-31(33)38)28-14-3-4-17-34(28)43-35)27-13-8-12-26(21-27)36(39)25-11-7-10-24(20-25)32-16-5-6-18-40-32;;;;;/h1-32,35-36,52H;4*3-19,22-23,36H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)) has a molecular weight of 3577.79 g/mol, XLogP of 50.23, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+)) is sourced from PubChem (CID 157159904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).