2,28-di(propan-2-yl)-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+)

C58H40N4Pd — CID 153305023

About 2,28-di(propan-2-yl)-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+)

2,28-di(propan-2-yl)-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+) (PubChem CID 153305023) has the molecular formula C58H40N4Pd and a molecular weight of 899.41 g/mol. Its IUPAC name is 2,28-di(propan-2-yl)-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+).

Molecular Properties

• Compound Name: 2,28-di(propan-2-yl)-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+)
• PubChem CID: 153305023
• Molecular Formula: C58H40N4Pd
• Molecular Weight: 899.41 g/mol
• Exact Mass: 898.23
• IUPAC Name: 2,28-di(propan-2-yl)-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+)
• SMILES: CC(C)c1c2nc(cc3[n-]c(c(C(C)C)c4nc(cc5[n-]c1c1cc6ccccc6cc51)-c1cc5ccccc5cc1-4)c1cc4ccccc4cc31)-c1cc3ccccc3cc1-2.[Pd+2]
• InChI: InChI=1S/C58H40N4.Pd/c1-31(2)53-55-45-25-37-17-9-5-13-33(37)21-41(45)49(59-55)29-51-43-23-35-15-7-11-19-39(35)27-47(43)57(61-51)54(32(3)4)58-48-28-40-20-12-8-16-36(40)24-44(48)52(62-58)30-50-42-22-34-14-6-10-18-38(34)26-46(42)56(53)60-50;/h5-32H,1-4H3;/q-2;+2/b49-29-,50-30-,51-29-,52-30+,55-53-,56-53-,57-54-,58-54-
• InChIKey: VAIHRFFKSIGCJH-MDGGOOPPSA-N
• XLogP: 15.40
• TPSA: 53.98 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.41
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,28-di(propan-2-yl)-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+)?

The IUPAC name of 2,28-di(propan-2-yl)-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+) (CID 153305023) is 2,28-di(propan-2-yl)-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+).

What is the SMILES notation for 2,28-di(propan-2-yl)-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+)?

The canonical SMILES for 2,28-di(propan-2-yl)-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+) is CC(C)c1c2nc(cc3[n-]c(c(C(C)C)c4nc(cc5[n-]c1c1cc6ccccc6cc51)-c1cc5ccccc5cc1-4)c1cc4ccccc4cc31)-c1cc3ccccc3cc1-2.[Pd+2].

What is the InChIKey of 2,28-di(propan-2-yl)-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+)?

The InChIKey is VAIHRFFKSIGCJH-MDGGOOPPSA-N. The full InChI is InChI=1S/C58H40N4.Pd/c1-31(2)53-55-45-25-37-17-9-5-13-33(37)21-41(45)49(59-55)29-51-43-23-35-15-7-11-19-39(35)27-47(43)57(61-51)54(32(3)4)58-48-28-40-20-12-8-16-36(40)24-44(48)52(62-58)30-50-42-22-34-14-6-10-18-38(34)26-46(42)56(53)60-50;/h5-32H,1-4H3;/q-2;+2/b49-29-,50-30-,51-29-,52-30+,55-53-,56-53-,57-54-,58-54-;.

What are the key properties of 2,28-di(propan-2-yl)-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+)?

2,28-di(propan-2-yl)-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+) has a molecular weight of 899.41 g/mol, XLogP of 15.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,28-di(propan-2-yl)-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+) is sourced from PubChem (CID 153305023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).