palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene

C64H38N4Pd — CID 140733400

About palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene

palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene (PubChem CID 140733400) has the molecular formula C64H38N4Pd and a molecular weight of 969.46 g/mol. Its IUPAC name is palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene.

Molecular Properties

• Compound Name: palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene
• PubChem CID: 140733400
• Molecular Formula: C64H38N4Pd
• Molecular Weight: 969.46 g/mol
• Exact Mass: 968.21
• IUPAC Name: palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene
• SMILES: [Pd+2].c1ccc(-c2c3nc(c(-c4ccccc4)c4[n-]c(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6[n-]c2c2ccccc62)-c2cc6ccccc6cc2-5)c2ccccc42)-c2ccccc2-3)cc1
• InChI: InChI=1S/C64H38N4.Pd/c1-5-21-39(22-6-1)53-57-45-31-15-16-32-46(45)58(65-57)54(40-23-7-2-8-24-40)60-48-34-18-20-36-50(48)62(67-60)56(42-27-11-4-12-28-42)64-52-38-44-30-14-13-29-43(44)37-51(52)63(68-64)55(41-25-9-3-10-26-41)61-49-35-19-17-33-47(49)59(53)66-61;/h1-38H;/q-2;+2/b57-53-,58-54-,59-53-,60-54-,61-55-,62-56-,63-55-,64-56-
• InChIKey: WADWVSSMZWOCGS-FBUGDNBDSA-N
• XLogP: 16.37
• TPSA: 53.98 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.46
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene?

The IUPAC name of palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene (CID 140733400) is palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene.

What is the SMILES notation for palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene?

The canonical SMILES for palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene is [Pd+2].c1ccc(-c2c3nc(c(-c4ccccc4)c4[n-]c(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6[n-]c2c2ccccc62)-c2cc6ccccc6cc2-5)c2ccccc42)-c2ccccc2-3)cc1.

What is the InChIKey of palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene?

The InChIKey is WADWVSSMZWOCGS-FBUGDNBDSA-N. The full InChI is InChI=1S/C64H38N4.Pd/c1-5-21-39(22-6-1)53-57-45-31-15-16-32-46(45)58(65-57)54(40-23-7-2-8-24-40)60-48-34-18-20-36-50(48)62(67-60)56(42-27-11-4-12-28-42)64-52-38-44-30-14-13-29-43(44)37-51(52)63(68-64)55(41-25-9-3-10-26-41)61-49-35-19-17-33-47(49)59(53)66-61;/h1-38H;/q-2;+2/b57-53-,58-54-,59-53-,60-54-,61-55-,62-56-,63-55-,64-56-;.

What are the key properties of palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene?

palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene has a molecular weight of 969.46 g/mol, XLogP of 16.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene is sourced from PubChem (CID 140733400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).