palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene

C80H46N4Pd — CID 140733392

About palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene

palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene (PubChem CID 140733392) has the molecular formula C80H46N4Pd and a molecular weight of 1169.70 g/mol. Its IUPAC name is palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene.

Molecular Properties

• Compound Name: palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene
• PubChem CID: 140733392
• Molecular Formula: C80H46N4Pd
• Molecular Weight: 1169.70 g/mol
• Exact Mass: 1168.28
• IUPAC Name: palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene
• SMILES: [Pd+2].c1ccc(-c2c3nc(c(-c4ccccc4)c4[n-]c(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6cc7ccccc7cc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)cc1
• InChI: InChI=1S/C80H46N4.Pd/c1-5-21-47(22-6-1)69-73-61-39-53-31-15-16-32-54(53)40-62(61)74(81-73)70(48-23-7-2-8-24-48)76-64-42-56-34-18-20-36-58(56)44-66(64)78(83-76)72(50-27-11-4-12-28-50)80-68-46-60-38-52-30-14-13-29-51(52)37-59(60)45-67(68)79(84-80)71(49-25-9-3-10-26-49)77-65-43-57-35-19-17-33-55(57)41-63(65)75(69)82-77;/h1-46H;/q-2;+2/b73-69-,74-70+,75-69-,76-70-,77-71-,78-72-,79-71-,80-72-
• InChIKey: HHSSQBAJBRFZLU-LHHIGYEPSA-N
• XLogP: 20.98
• TPSA: 53.98 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.70
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene?

The IUPAC name of palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene (CID 140733392) is palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene.

What is the SMILES notation for palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene?

The canonical SMILES for palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene is [Pd+2].c1ccc(-c2c3nc(c(-c4ccccc4)c4[n-]c(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6cc7ccccc7cc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)cc1.

What is the InChIKey of palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene?

The InChIKey is HHSSQBAJBRFZLU-LHHIGYEPSA-N. The full InChI is InChI=1S/C80H46N4.Pd/c1-5-21-47(22-6-1)69-73-61-39-53-31-15-16-32-54(53)40-62(61)74(81-73)70(48-23-7-2-8-24-48)76-64-42-56-34-18-20-36-58(56)44-66(64)78(83-76)72(50-27-11-4-12-28-50)80-68-46-60-38-52-30-14-13-29-51(52)37-59(60)45-67(68)79(84-80)71(49-25-9-3-10-26-49)77-65-43-57-35-19-17-33-55(57)41-63(65)75(69)82-77;/h1-46H;/q-2;+2/b73-69-,74-70+,75-69-,76-70-,77-71-,78-72-,79-71-,80-72-;.

What are the key properties of palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene?

palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene has a molecular weight of 1169.70 g/mol, XLogP of 20.98, 4 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-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene is sourced from PubChem (CID 140733392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).