About carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene
carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (PubChem CID 159945009) has the molecular formula C273H223N12Pd3-3
and a molecular weight of 3991.13 g/mol. Its IUPAC name is carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.
Frequently Asked Questions
What is the IUPAC name of carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?
The IUPAC name of carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (CID 159945009) is carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.
What is the SMILES notation for carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?
The canonical SMILES for carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is CC(C)c1cccc(C(C)C)c1-c1c2nc(c(-c3c(C(C)C)cccc3C(C)C)c3[n-]c(c(-c4c(C(C)C)cccc4C(C)C)c4nc(c(-c5c(C(C)C)cccc5C(C)C)c5[n-]c1c1cc6ccccc6cc51)-c1cc5ccccc5cc1-4)c1cc4ccccc4cc31)-c1cc3ccccc3cc1-2.CC(C)c1ccccc1-c1c2nc(c(-c3ccccc3C(C)C)c3[n-]c(c(-c4ccccc4C(C)C)c4nc(c(-c5ccccc5C(C)C)c5[n-]c1c1cc6ccccc6cc51)-c1cc5ccccc5cc1-4)c1cc4ccccc4cc31)-c1cc3ccccc3cc1-2.Cc1cccc(C)c1-c1c2nc(c(-c3c(C)cccc3C)c3[n-]c(c(-c4c(C)cccc4C)c4nc(c(-c5c(C)cccc5C)c5[n-]c1c1cc6ccccc6cc51)-c1cc5ccccc5cc1-4)c1cc4ccccc4cc31)-c1cc3ccccc3cc1-2.[CH3-].[Pd+2].[Pd+2].[Pd].
What is the InChIKey of carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?
The InChIKey is PNINIYBZQVVTCX-AEDZIFLLSA-N. The full InChI is InChI=1S/C100H92N4.C88H68N4.C84H60N4.CH3.3Pd/c1-53(2)69-37-25-38-70(54(3)4)85(69)89-93-77-45-61-29-17-19-31-63(61)47-79(77)95(101-93)90(86-71(55(5)6)39-26-40-72(86)56(7)8)97-81-49-65-33-21-23-35-67(65)51-83(81)99(103-97)92(88-75(59(13)14)43-28-44-76(88)60(15)16)100-84-52-68-36-24-22-34-66(68)50-82(84)98(104-100)91(87-73(57(9)10)41-27-42-74(87)58(11)12)96-80-48-64-32-20-18-30-62(64)46-78(80)94(89)102-96;1-49(2)61-33-17-21-37-65(61)77-81-69-41-53-25-9-11-27-55(53)43-71(69)83(89-81)78(66-38-22-18-34-62(66)50(3)4)85-73-45-57-29-13-15-31-59(57)47-75(73)87(91-85)80(68-40-24-20-36-64(68)52(7)8)88-76-48-60-32-16-14-30-58(60)46-74(76)86(92-88)79(67-39-23-19-35-63(67)51(5)6)84-72-44-56-28-12-10-26-54(56)42-70(72)82(77)90-84;1-45-21-17-22-46(2)69(45)73-77-61-37-53-29-9-11-31-55(53)39-63(61)79(85-77)74(70-47(3)23-18-24-48(70)4)81-65-41-57-33-13-15-35-59(57)43-67(65)83(87-81)76(72-51(7)27-20-28-52(72)8)84-68-44-60-36-16-14-34-58(60)42-66(68)82(88-84)75(71-49(5)25-19-26-50(71)6)80-64-40-56-32-12-10-30-54(56)38-62(64)78(73)86-80;;;;/h17-60H,1-16H3;9-52H,1-8H3;9-44H,1-8H3;1H3;;;/q3*-2;-1;;2*+2/b93-89-,94-89-,95-90-,96-91-,97-90-,98-91-,99-92-,100-92+;81-77-,82-77-,83-78-,84-79-,85-78-,86-79-,87-80-,88-80+;77-73-,78-73-,79-74-,80-75-,81-74-,82-75-,83-76-,84-76+;;;;.
What are the key properties of carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?
carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene has a molecular weight of 3991.13 g/mol, XLogP of 75.88, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;palladium;bis(palladium(2+));2,15,28,41-tetrakis(2,6-dimethylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis[2,6-di(propan-2-yl)phenyl]-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetrakis(2-propan-2-ylphenyl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is sourced from PubChem (CID 159945009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).