9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)

C50H32N4OPdS — CID 162483117

About 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)

9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+) (PubChem CID 162483117) has the molecular formula C50H32N4OPdS and a molecular weight of 843.32 g/mol. Its IUPAC name is 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+).

Molecular Properties

• Compound Name: 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)
• PubChem CID: 162483117
• Molecular Formula: C50H32N4OPdS
• Molecular Weight: 843.32 g/mol
• Exact Mass: 842.13
• IUPAC Name: 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)
• SMILES: Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ccccc5c5c6c(cnc54)Sc4ccccc4C6(c4ccccc4)c4ccccc4)ccc3)ccc2)nc2ccccc21.[Pd+2]
• InChI: InChI=1S/C50H32N4OS.Pd/c1-53-43-28-12-10-26-41(43)52-48(53)33-16-14-22-37(30-33)55-38-23-15-21-36(31-38)54-42-27-11-8-24-39(42)46-47-45(32-51-49(46)54)56-44-29-13-9-25-40(44)50(47,34-17-4-2-5-18-34)35-19-6-3-7-20-35;/h2-29,32H,1H3;/q-2;+2
• InChIKey: HCCFXXOWQZWXJD-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.32
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)?

The IUPAC name of 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+) (CID 162483117) is 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+).

What is the SMILES notation for 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)?

The canonical SMILES for 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-n4c5ccccc5c5c6c(cnc54)Sc4ccccc4C6(c4ccccc4)c4ccccc4)ccc3)ccc2)nc2ccccc21.[Pd+2].

What is the InChIKey of 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)?

The InChIKey is HCCFXXOWQZWXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4OS.Pd/c1-53-43-28-12-10-26-41(43)52-48(53)33-16-14-22-37(30-33)55-38-23-15-21-36(31-38)54-42-27-11-8-24-39(42)46-47-45(32-51-49(46)54)56-44-29-13-9-25-40(44)50(47,34-17-4-2-5-18-34)35-19-6-3-7-20-35;/h2-29,32H,1H3;/q-2;+2.

What are the key properties of 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+)?

9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+) has a molecular weight of 843.32 g/mol, XLogP of 11.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-21,21-diphenyl-14-thia-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;palladium(2+) is sourced from PubChem (CID 162483117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).