14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+))

C244H167F5N22OPd5S2Si3 — CID 157466245

IUPAC14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+))
SMILESCn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)Sc4ccccc4[Si]6(c4ccccc4)c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4O6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5cc6c(cc5C(C)(C)c5cccnc54)c4ccccc4n6-c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5cc6c7ccccc7n(-c7ccccc7)c6cc5C(C)(C)c5cccnc54)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C50H33FN4OSi.2C50H33FN4SSi.2C47H34FN5.5Pd/c2*1-54-42-25-9-8-24-41(42)53-49(54)35-17-12-15-33(29-35)48(51)34-16-13-18-36(30-34)55-43-32-45-47(31-40(43)39-23-14-28-52-50(39)55)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)46-27-11-10-26-44(46)56-45;1-54-42-25-9-8-24-41(42)53-49(54)35-17-12-15-33(29-35)48(51)34-16-13-18-36(30-34)55-43-32-47-45(31-40(43)39-23-14-28-52-50(39)55)56-44-26-10-11-27-46(44)57(47,37-19-4-2-5-20-37)38-21-6-3-7-22-38;1-47(2)37-21-13-25-49-46(37)53(43-28-36-35-20-7-9-23-40(35)52(42(36)29-38(43)47)33-17-5-4-6-18-33)34-19-12-15-31(27-34)44(48)30-14-11-16-32(26-30)45-50-39-22-8-10-24-41(39)51(45)3;1-47(2)37-21-13-25-49-46(37)53(43-29-42-36(28-38(43)47)35-20-7-9-23-40(35)52(42)33-17-5-4-6-18-33)34-19-12-15-31(27-34)44(48)30-14-11-16-32(26-30)45-50-39-22-8-10-24-41(39)51(45)3;;;;;/h3*2-28,31-32,48H,1H3;2*4-25,28-29,44H,1-3H3;;;;;/q5*-2;5*+2
InChIKeyVLAFOVSIVSPVED-UHFFFAOYSA-N
MW4198.65 g/mol
LogP50.33
Rot. Bonds28

About 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+)) (PubChem CID 157466245) has the molecular formula C244H167F5N22OPd5S2Si3 and a molecular weight of 4198.65 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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+))
PubChem CID157466245
Molecular FormulaC244H167F5N22OPd5S2Si3
Molecular Weight4198.65 g/mol
Exact Mass4192.75
IUPAC Name14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+))
SMILESCn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)Sc4ccccc4[Si]6(c4ccccc4)c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4O6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5cc6c(cc5C(C)(C)c5cccnc54)c4ccccc4n6-c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5cc6c7ccccc7n(-c7ccccc7)c6cc5C(C)(C)c5cccnc54)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C50H33FN4OSi.2C50H33FN4SSi.2C47H34FN5.5Pd/c2*1-54-42-25-9-8-24-41(42)53-49(54)35-17-12-15-33(29-35)48(51)34-16-13-18-36(30-34)55-43-32-45-47(31-40(43)39-23-14-28-52-50(39)55)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)46-27-11-10-26-44(46)56-45;1-54-42-25-9-8-24-41(42)53-49(54)35-17-12-15-33(29-35)48(51)34-16-13-18-36(30-34)55-43-32-47-45(31-40(43)39-23-14-28-52-50(39)55)56-44-26-10-11-27-46(44)57(47,37-19-4-2-5-20-37)38-21-6-3-7-22-38;1-47(2)37-21-13-25-49-46(37)53(43-28-36-35-20-7-9-23-40(35)52(42(36)29-38(43)47)33-17-5-4-6-18-33)34-19-12-15-31(27-34)44(48)30-14-11-16-32(26-30)45-50-39-22-8-10-24-41(39)51(45)3;1-47(2)37-21-13-25-49-46(37)53(43-29-42-36(28-38(43)47)35-20-7-9-23-40(35)52(42)33-17-5-4-6-18-33)34-19-12-15-31(27-34)44(48)30-14-11-16-32(26-30)45-50-39-22-8-10-24-41(39)51(45)3;;;;;/h3*2-28,31-32,48H,1H3;2*4-25,28-29,44H,1-3H3;;;;;/q5*-2;5*+2
InChIKeyVLAFOVSIVSPVED-UHFFFAOYSA-N
XLogP50.33
TPSA193.91 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004198.65
LogP ≤ 550.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+)) (CID 157466245) is 14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+)) is Cn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)Sc4ccccc4[Si]6(c4ccccc4)c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4O6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(-n4c5cc6c(cc5c5cccnc54)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5cc6c(cc5C(C)(C)c5cccnc54)c4ccccc4n6-c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(C(F)c3[c-]c(N4c5cc6c7ccccc7n(-c7ccccc7)c6cc5C(C)(C)c5cccnc54)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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+))?
The InChIKey is VLAFOVSIVSPVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33FN4OSi.2C50H33FN4SSi.2C47H34FN5.5Pd/c2*1-54-42-25-9-8-24-41(42)53-49(54)35-17-12-15-33(29-35)48(51)34-16-13-18-36(30-34)55-43-32-45-47(31-40(43)39-23-14-28-52-50(39)55)57(37-19-4-2-5-20-37,38-21-6-3-7-22-38)46-27-11-10-26-44(46)56-45;1-54-42-25-9-8-24-41(42)53-49(54)35-17-12-15-33(29-35)48(51)34-16-13-18-36(30-34)55-43-32-47-45(31-40(43)39-23-14-28-52-50(39)55)56-44-26-10-11-27-46(44)57(47,37-19-4-2-5-20-37)38-21-6-3-7-22-38;1-47(2)37-21-13-25-49-46(37)53(43-28-36-35-20-7-9-23-40(35)52(42(36)29-38(43)47)33-17-5-4-6-18-33)34-19-12-15-31(27-34)44(48)30-14-11-16-32(26-30)45-50-39-22-8-10-24-41(39)51(45)3;1-47(2)37-21-13-25-49-46(37)53(43-29-42-36(28-38(43)47)35-20-7-9-23-40(35)52(42)33-17-5-4-6-18-33)34-19-12-15-31(27-34)44(48)30-14-11-16-32(26-30)45-50-39-22-8-10-24-41(39)51(45)3;;;;;/h3*2-28,31-32,48H,1H3;2*4-25,28-29,44H,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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+)) has a molecular weight of 4198.65 g/mol, XLogP of 50.33, 28 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-10-phenyl-10,14,16-triazapentacyclo[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-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-phenyl-10,19,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-oxa-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-21-thia-8,10-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;pentakis(palladium(2+)) is sourced from PubChem (CID 157466245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).