12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate

C66H40F12N8P2Pd2 — CID 139049846

About 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate

12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate (PubChem CID 139049846) has the molecular formula C66H40F12N8P2Pd2 and a molecular weight of 1447.87 g/mol. Its IUPAC name is 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate.

Molecular Properties

• Compound Name: 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate
• PubChem CID: 139049846
• Molecular Formula: C66H40F12N8P2Pd2
• Molecular Weight: 1447.87 g/mol
• Exact Mass: 1446.07
• IUPAC Name: 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate
• SMILES: C1=C/C2=C(\c3ccccc3)c3cccc(n3)-c3cccc(n3)/C(c3ccccc3)=c3/cc/c([n-]3)=C(C3=c4/cc/c([n-]4)=C(\c4ccccc4)c4cccc(n4)-c4cccc(n4)/C(c4ccccc4)=C4/C=CC\3=N4)/C1=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2]
• InChI: InChI=1S/C66H40N8.2F6P.2Pd/c1-5-17-41(18-6-1)61-49-29-13-25-45(67-49)46-26-14-30-50(68-46)62(42-19-7-2-8-20-42)54-34-38-58(72-54)65(57-37-33-53(61)71-57)66-59-39-35-55(73-59)63(43-21-9-3-10-22-43)51-31-15-27-47(69-51)48-28-16-32-52(70-48)64(44-23-11-4-12-24-44)56-36-40-60(66)74-56;2*1-7(2,3,4,5)6;;/h1-40H;;;;/q-2;2*-1;2*+2/b61-53-,62-54-,63-55-,64-56-,65-57+,66-59+
• InChIKey: HNIMZWJRQDHARX-LUCJOANPSA-N
• XLogP: 16.34
• TPSA: 104.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1447.87
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate?

The IUPAC name of 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate (CID 139049846) is 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate.

What is the SMILES notation for 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate?

The canonical SMILES for 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate is C1=C/C2=C(\c3ccccc3)c3cccc(n3)-c3cccc(n3)/C(c3ccccc3)=c3/cc/c([n-]3)=C(C3=c4/cc/c([n-]4)=C(\c4ccccc4)c4cccc(n4)-c4cccc(n4)/C(c4ccccc4)=C4/C=CC\3=N4)/C1=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].

What is the InChIKey of 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate?

The InChIKey is HNIMZWJRQDHARX-LUCJOANPSA-N. The full InChI is InChI=1S/C66H40N8.2F6P.2Pd/c1-5-17-41(18-6-1)61-49-29-13-25-45(67-49)46-26-14-30-50(68-46)62(42-19-7-2-8-20-42)54-34-38-58(72-54)65(57-37-33-53(61)71-57)66-59-39-35-55(73-59)63(43-21-9-3-10-22-43)51-31-15-27-47(69-51)48-28-16-32-52(70-48)64(44-23-11-4-12-24-44)56-36-40-60(66)74-56;2*1-7(2,3,4,5)6;;/h1-40H;;;;/q-2;2*-1;2*+2/b61-53-,62-54-,63-55-,64-56-,65-57+,66-59+;;;;.

What are the key properties of 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate?

12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate has a molecular weight of 1447.87 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaen-12-yl)-7,17-diphenyl-22,23,25-triaza-24-azanidapentacyclo[16.3.1.12,6.18,11.113,16]pentacosa-1(22),2(25),3,5,7,9,11,13(23),14,16,18,20-dodecaene;bis(palladium(2+));dihexafluorophosphate is sourced from PubChem (CID 139049846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).