[3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)

C53H39N3OPdSi — CID 162482854

About [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)

[3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+) (PubChem CID 162482854) has the molecular formula C53H39N3OPdSi and a molecular weight of 868.42 g/mol. Its IUPAC name is [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+).

Molecular Properties

• Compound Name: [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)
• PubChem CID: 162482854
• Molecular Formula: C53H39N3OPdSi
• Molecular Weight: 868.42 g/mol
• Exact Mass: 867.19
• IUPAC Name: [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)
• SMILES: Cn1c(-c2[c-]c([Si](c3[c-]c(C4c5cc6oc7ccccc7c6cc5C(C)(C)c5cccnc54)ccc3)(c3ccccc3)c3ccccc3)ccc2)nc2ccccc21.[Pd+2]
• InChI: InChI=1S/C53H39N3OSi.Pd/c1-53(2)44-26-16-30-54-51(44)50(43-34-49-42(33-45(43)53)41-25-10-13-29-48(41)57-49)35-17-14-23-39(31-35)58(37-19-6-4-7-20-37,38-21-8-5-9-22-38)40-24-15-18-36(32-40)52-55-46-27-11-12-28-47(46)56(52)3;/h4-30,33-34,50H,1-3H3;/q-2;+2
• InChIKey: QGUOVNKFUHNWMU-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.42
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)?

The IUPAC name of [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+) (CID 162482854) is [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+).

What is the SMILES notation for [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)?

The canonical SMILES for [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+) is Cn1c(-c2[c-]c([Si](c3[c-]c(C4c5cc6oc7ccccc7c6cc5C(C)(C)c5cccnc54)ccc3)(c3ccccc3)c3ccccc3)ccc2)nc2ccccc21.[Pd+2].

What is the InChIKey of [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)?

The InChIKey is QGUOVNKFUHNWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3OSi.Pd/c1-53(2)44-26-16-30-54-51(44)50(43-34-49-42(33-45(43)53)41-25-10-13-29-48(41)57-49)35-17-14-23-39(31-35)58(37-19-6-4-7-20-37,38-21-8-5-9-22-38)40-24-15-18-36(32-40)52-55-46-27-11-12-28-47(46)56(52)3;/h4-30,33-34,50H,1-3H3;/q-2;+2.

What are the key properties of [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+)?

[3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+) has a molecular weight of 868.42 g/mol, XLogP of 9.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(21,21-dimethyl-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenylsilane;palladium(2+) is sourced from PubChem (CID 162482854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).