14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))

C220H154F5N21O2Pd5S2Si — CID 157377374

IUPAC14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))
SMILESCn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4c5oc5ccccc54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4c5sc5ccccc54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4oc6ccccc6c54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4sc6ccccc6c54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5c4ncc4c5c5ccccc5n4-c4ccccc4)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C56H38FN5Si.2C41H29FN4O.2C41H29FN4S.5Pd/c1-60-48-32-14-12-30-46(48)59-55(60)40-21-17-19-38(35-40)53(57)39-20-18-24-42(36-39)62-49-33-15-16-34-51(49)63(43-25-7-3-8-26-43,44-27-9-4-10-28-44)54-52-45-29-11-13-31-47(45)61(41-22-5-2-6-23-41)50(52)37-58-56(54)62;1-41(2)31-17-5-7-19-33(31)46(40-36(41)38-30(24-43-40)29-16-4-9-21-35(29)47-38)28-15-11-13-26(23-28)37(42)25-12-10-14-27(22-25)39-44-32-18-6-8-20-34(32)45(39)3;1-41(2)30-17-5-7-19-32(30)46(40-37(41)36-29-16-4-9-21-34(29)47-35(36)24-43-40)28-15-11-13-26(23-28)38(42)25-12-10-14-27(22-25)39-44-31-18-6-8-20-33(31)45(39)3;1-41(2)31-17-5-7-19-33(31)46(40-36(41)38-30(24-43-40)29-16-4-9-21-35(29)47-38)28-15-11-13-26(23-28)37(42)25-12-10-14-27(22-25)39-44-32-18-6-8-20-34(32)45(39)3;1-41(2)30-17-5-7-19-32(30)46(40-37(41)36-29-16-4-9-21-34(29)47-35(36)24-43-40)28-15-11-13-26(23-28)38(42)25-12-10-14-27(22-25)39-44-31-18-6-8-20-33(31)45(39)3;;;;;/h2-34,37,53H,1H3;4-21,24,37H,1-3H3;4-21,24,38H,1-3H3;4-21,24,37H,1-3H3;4-21,24,38H,1-3H3;;;;;/q5*-2;5*+2
InChIKeySVMZLWMZCGYBPG-UHFFFAOYSA-N
MW3843.11 g/mol
LogP52.69
Rot. Bonds23

About 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))

14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)) (PubChem CID 157377374) has the molecular formula C220H154F5N21O2Pd5S2Si and a molecular weight of 3843.11 g/mol. Its IUPAC name is 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)).

Molecular Properties

Compound Name14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))
PubChem CID157377374
Molecular FormulaC220H154F5N21O2Pd5S2Si
Molecular Weight3843.11 g/mol
Exact Mass3837.69
IUPAC Name14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))
SMILESCn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4c5oc5ccccc54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4c5sc5ccccc54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4oc6ccccc6c54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4sc6ccccc6c54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5c4ncc4c5c5ccccc5n4-c4ccccc4)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C56H38FN5Si.2C41H29FN4O.2C41H29FN4S.5Pd/c1-60-48-32-14-12-30-46(48)59-55(60)40-21-17-19-38(35-40)53(57)39-20-18-24-42(36-39)62-49-33-15-16-34-51(49)63(43-25-7-3-8-26-43,44-27-9-4-10-28-44)54-52-45-29-11-13-31-47(45)61(41-22-5-2-6-23-41)50(52)37-58-56(54)62;1-41(2)31-17-5-7-19-33(31)46(40-36(41)38-30(24-43-40)29-16-4-9-21-35(29)47-38)28-15-11-13-26(23-28)37(42)25-12-10-14-27(22-25)39-44-32-18-6-8-20-34(32)45(39)3;1-41(2)30-17-5-7-19-32(30)46(40-37(41)36-29-16-4-9-21-34(29)47-35(36)24-43-40)28-15-11-13-26(23-28)38(42)25-12-10-14-27(22-25)39-44-31-18-6-8-20-33(31)45(39)3;1-41(2)31-17-5-7-19-33(31)46(40-36(41)38-30(24-43-40)29-16-4-9-21-35(29)47-38)28-15-11-13-26(23-28)37(42)25-12-10-14-27(22-25)39-44-32-18-6-8-20-34(32)45(39)3;1-41(2)30-17-5-7-19-32(30)46(40-37(41)36-29-16-4-9-21-34(29)47-35(36)24-43-40)28-15-11-13-26(23-28)38(42)25-12-10-14-27(22-25)39-44-31-18-6-8-20-33(31)45(39)3;;;;;/h2-34,37,53H,1H3;4-21,24,37H,1-3H3;4-21,24,38H,1-3H3;4-21,24,37H,1-3H3;4-21,24,38H,1-3H3;;;;;/q5*-2;5*+2
InChIKeySVMZLWMZCGYBPG-UHFFFAOYSA-N
XLogP52.69
TPSA200.96 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003843.11
LogP ≤ 552.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))?
The IUPAC name of 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)) (CID 157377374) is 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)).
What is the SMILES notation for 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))?
The canonical SMILES for 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)) is Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4c5oc5ccccc54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4c5sc5ccccc54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4oc6ccccc6c54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5C(C)(C)c5c4ncc4sc6ccccc6c54)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5c4ncc4c5c5ccccc5n4-c4ccccc4)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))?
The InChIKey is SVMZLWMZCGYBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38FN5Si.2C41H29FN4O.2C41H29FN4S.5Pd/c1-60-48-32-14-12-30-46(48)59-55(60)40-21-17-19-38(35-40)53(57)39-20-18-24-42(36-39)62-49-33-15-16-34-51(49)63(43-25-7-3-8-26-43,44-27-9-4-10-28-44)54-52-45-29-11-13-31-47(45)61(41-22-5-2-6-23-41)50(52)37-58-56(54)62;1-41(2)31-17-5-7-19-33(31)46(40-36(41)38-30(24-43-40)29-16-4-9-21-35(29)47-38)28-15-11-13-26(23-28)37(42)25-12-10-14-27(22-25)39-44-32-18-6-8-20-34(32)45(39)3;1-41(2)30-17-5-7-19-32(30)46(40-37(41)36-29-16-4-9-21-34(29)47-35(36)24-43-40)28-15-11-13-26(23-28)38(42)25-12-10-14-27(22-25)39-44-31-18-6-8-20-33(31)45(39)3;1-41(2)31-17-5-7-19-33(31)46(40-36(41)38-30(24-43-40)29-16-4-9-21-35(29)47-38)28-15-11-13-26(23-28)37(42)25-12-10-14-27(22-25)39-44-32-18-6-8-20-34(32)45(39)3;1-41(2)30-17-5-7-19-32(30)46(40-37(41)36-29-16-4-9-21-34(29)47-35(36)24-43-40)28-15-11-13-26(23-28)38(42)25-12-10-14-27(22-25)39-44-31-18-6-8-20-33(31)45(39)3;;;;;/h2-34,37,53H,1H3;4-21,24,37H,1-3H3;4-21,24,38H,1-3H3;4-21,24,37H,1-3H3;4-21,24,38H,1-3H3;;;;;/q5*-2;5*+2.
What are the key properties of 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+))?
14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)) has a molecular weight of 3843.11 g/mol, XLogP of 52.69, 23 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-oxa-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-oxa-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-3-thia-12,14-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-9-thia-12,14-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,12,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;pentakis(palladium(2+)) is sourced from PubChem (CID 157377374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).