palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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

C88H68N4Pd — CID 153304917

About palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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

palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 153304917) has the molecular formula C88H68N4Pd and a molecular weight of 1287.96 g/mol. Its IUPAC name is palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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.

Molecular Properties

• Compound Name: palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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: 153304917
• Molecular Formula: C88H68N4Pd
• Molecular Weight: 1287.96 g/mol
• Exact Mass: 1286.45
• IUPAC Name: palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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
• SMILES: CCCc1ccc(-c2c3nc(c(-c4ccc(CCC)cc4)c4[n-]c(c(-c5ccc(CCC)cc5)c5nc(c(-c6ccc(CCC)cc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)cc1.[Pd+2]
• InChI: InChI=1S/C88H68N4.Pd/c1-5-17-53-29-37-57(38-30-53)77-81-69-45-61-21-9-11-23-63(61)47-71(69)83(89-81)78(58-39-31-54(18-6-2)32-40-58)85-73-49-65-25-13-15-27-67(65)51-75(73)87(91-85)80(60-43-35-56(20-8-4)36-44-60)88-76-52-68-28-16-14-26-66(68)50-74(76)86(92-88)79(59-41-33-55(19-7-3)34-42-59)84-72-48-64-24-12-10-22-62(64)46-70(72)82(77)90-84;/h9-16,21-52H,5-8,17-20H2,1-4H3;/q-2;+2/b81-77-,82-77-,83-78-,84-79-,85-78-,86-79-,87-80-,88-80+
• InChIKey: YJKIWNHSQKPFHE-RGHRXOELSA-N
• XLogP: 23.64
• TPSA: 53.98 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1287.96
LogP ≤ 5	23.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 153304917) is palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 CCCc1ccc(-c2c3nc(c(-c4ccc(CCC)cc4)c4[n-]c(c(-c5ccc(CCC)cc5)c5nc(c(-c6ccc(CCC)cc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)cc1.[Pd+2].

What is the InChIKey of palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 YJKIWNHSQKPFHE-RGHRXOELSA-N. The full InChI is InChI=1S/C88H68N4.Pd/c1-5-17-53-29-37-57(38-30-53)77-81-69-45-61-21-9-11-23-63(61)47-71(69)83(89-81)78(58-39-31-54(18-6-2)32-40-58)85-73-49-65-25-13-15-27-67(65)51-75(73)87(91-85)80(60-43-35-56(20-8-4)36-44-60)88-76-52-68-28-16-14-26-66(68)50-74(76)86(92-88)79(59-41-33-55(19-7-3)34-42-59)84-72-48-64-24-12-10-22-62(64)46-70(72)82(77)90-84;/h9-16,21-52H,5-8,17-20H2,1-4H3;/q-2;+2/b81-77-,82-77-,83-78-,84-79-,85-78-,86-79-,87-80-,88-80+;.

What are the key properties of palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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?

palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 1287.96 g/mol, XLogP of 23.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 153304917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).