14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))

C252H178N26O8Pd6S2 — CID 157349394

IUPAC14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4N6c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4O6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4S6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)N(c4ccccc4)c4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)Oc4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)Sc4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C46H33N5O.2C40H28N4O2.2C40H28N4OS.6Pd/c1-46(2)37-21-7-9-23-40(37)50(31-15-5-4-6-16-31)43-38(46)26-25-35-36-20-13-27-47-45(36)51(42(35)43)32-17-12-19-34(29-32)52-33-18-11-14-30(28-33)44-48-39-22-8-10-24-41(39)49(44)3;1-46(2)37-21-7-9-23-39(37)50(31-15-5-4-6-16-31)41-26-25-35-36-20-13-27-47-45(36)51(43(35)42(41)46)32-17-12-19-34(29-32)52-33-18-11-14-30(28-33)44-48-38-22-8-10-24-40(38)49(44)3;1-40(2)31-16-4-7-19-35(31)46-37-32(40)21-20-29-30-15-10-22-41-39(30)44(36(29)37)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-33-17-5-6-18-34(33)43(38)3;1-40(2)31-16-4-7-19-34(31)46-35-21-20-29-30-15-10-22-41-39(30)44(37(29)36(35)40)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-32-17-5-6-18-33(32)43(38)3;1-40(2)31-16-4-7-19-35(31)46-37-32(40)21-20-29-30-15-10-22-41-39(30)44(36(29)37)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-33-17-5-6-18-34(33)43(38)3;1-40(2)31-16-4-7-19-34(31)46-35-21-20-29-30-15-10-22-41-39(30)44(37(29)36(35)40)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-32-17-5-6-18-33(32)43(38)3;;;;;;/h2*4-27H,1-3H3;4*4-22H,1-3H3;;;;;;/q6*-2;6*+2
InChIKeyFFPUPBIWARRYGM-UHFFFAOYSA-N
MW4401.02 g/mol
LogP61.40
Rot. Bonds26

About 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))

14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)) (PubChem CID 157349394) has the molecular formula C252H178N26O8Pd6S2 and a molecular weight of 4401.02 g/mol. Its IUPAC name is 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)).

Molecular Properties

Compound Name14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))
PubChem CID157349394
Molecular FormulaC252H178N26O8Pd6S2
Molecular Weight4401.02 g/mol
Exact Mass4394.80
IUPAC Name14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4N6c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4O6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4S6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)N(c4ccccc4)c4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)Oc4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)Sc4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C46H33N5O.2C40H28N4O2.2C40H28N4OS.6Pd/c1-46(2)37-21-7-9-23-40(37)50(31-15-5-4-6-16-31)43-38(46)26-25-35-36-20-13-27-47-45(36)51(42(35)43)32-17-12-19-34(29-32)52-33-18-11-14-30(28-33)44-48-39-22-8-10-24-41(39)49(44)3;1-46(2)37-21-7-9-23-39(37)50(31-15-5-4-6-16-31)41-26-25-35-36-20-13-27-47-45(36)51(43(35)42(41)46)32-17-12-19-34(29-32)52-33-18-11-14-30(28-33)44-48-38-22-8-10-24-40(38)49(44)3;1-40(2)31-16-4-7-19-35(31)46-37-32(40)21-20-29-30-15-10-22-41-39(30)44(36(29)37)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-33-17-5-6-18-34(33)43(38)3;1-40(2)31-16-4-7-19-34(31)46-35-21-20-29-30-15-10-22-41-39(30)44(37(29)36(35)40)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-32-17-5-6-18-33(32)43(38)3;1-40(2)31-16-4-7-19-35(31)46-37-32(40)21-20-29-30-15-10-22-41-39(30)44(36(29)37)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-33-17-5-6-18-34(33)43(38)3;1-40(2)31-16-4-7-19-34(31)46-35-21-20-29-30-15-10-22-41-39(30)44(37(29)36(35)40)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-32-17-5-6-18-33(32)43(38)3;;;;;;/h2*4-27H,1-3H3;4*4-22H,1-3H3;;;;;;/q6*-2;6*+2
InChIKeyFFPUPBIWARRYGM-UHFFFAOYSA-N
XLogP61.40
TPSA294.16 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004401.02
LogP ≤ 561.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)) with MolForge

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What is the IUPAC name of 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))?
The IUPAC name of 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)) (CID 157349394) is 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)).
What is the SMILES notation for 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))?
The canonical SMILES for 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)) is Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4N6c4ccccc4)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4O6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)C(C)(C)c4ccccc4S6)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)N(c4ccccc4)c4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)Oc4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ncccc5c5ccc6c(c54)Sc4ccccc4C6(C)C)ccc3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))?
The InChIKey is FFPUPBIWARRYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H33N5O.2C40H28N4O2.2C40H28N4OS.6Pd/c1-46(2)37-21-7-9-23-40(37)50(31-15-5-4-6-16-31)43-38(46)26-25-35-36-20-13-27-47-45(36)51(42(35)43)32-17-12-19-34(29-32)52-33-18-11-14-30(28-33)44-48-39-22-8-10-24-41(39)49(44)3;1-46(2)37-21-7-9-23-39(37)50(31-15-5-4-6-16-31)41-26-25-35-36-20-13-27-47-45(36)51(43(35)42(41)46)32-17-12-19-34(29-32)52-33-18-11-14-30(28-33)44-48-38-22-8-10-24-40(38)49(44)3;1-40(2)31-16-4-7-19-35(31)46-37-32(40)21-20-29-30-15-10-22-41-39(30)44(36(29)37)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-33-17-5-6-18-34(33)43(38)3;1-40(2)31-16-4-7-19-34(31)46-35-21-20-29-30-15-10-22-41-39(30)44(37(29)36(35)40)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-32-17-5-6-18-33(32)43(38)3;1-40(2)31-16-4-7-19-35(31)46-37-32(40)21-20-29-30-15-10-22-41-39(30)44(36(29)37)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-33-17-5-6-18-34(33)43(38)3;1-40(2)31-16-4-7-19-34(31)46-35-21-20-29-30-15-10-22-41-39(30)44(37(29)36(35)40)26-12-9-14-28(24-26)45-27-13-8-11-25(23-27)38-42-32-17-5-6-18-33(32)43(38)3;;;;;;/h2*4-27H,1-3H3;4*4-22H,1-3H3;;;;;;/q6*-2;6*+2.
What are the key properties of 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+))?
14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)) has a molecular weight of 4401.02 g/mol, XLogP of 61.40, 26 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-phenyl-3,5,14-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;14,14-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;21,21-dimethyl-3-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-14-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;hexakis(palladium(2+)) is sourced from PubChem (CID 157349394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).