14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)

C46H29N3OPdSSi — CID 140953969

IUPAC14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)
SMILES[Pd+2].[c-]1c(Oc2[c-]c(N3c4ncccc4[Si](c4ccccc4)(c4ccccc4)c4ccc5c(sc6ccccc65)c43)ccc2)cccc1-c1ccccn1
InChIInChI=1S/C46H29N3OSSi.Pd/c1-3-18-36(19-4-1)52(37-20-5-2-6-21-37)42-27-26-39-38-22-7-8-24-41(38)51-45(39)44(42)49(46-43(52)25-13-29-48-46)33-15-12-17-35(31-33)50-34-16-11-14-32(30-34)40-23-9-10-28-47-40;/h1-29H;/q-2;+2
InChIKeyNRYCRWIDMZOJNT-UHFFFAOYSA-N
MW806.33 g/mol
LogP9.06
Rot. Bonds6

About 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)

14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+) (PubChem CID 140953969) has the molecular formula C46H29N3OPdSSi and a molecular weight of 806.33 g/mol. Its IUPAC name is 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+).

Molecular Properties

Compound Name14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)
PubChem CID140953969
Molecular FormulaC46H29N3OPdSSi
Molecular Weight806.33 g/mol
Exact Mass805.08
IUPAC Name14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)
SMILES[Pd+2].[c-]1c(Oc2[c-]c(N3c4ncccc4[Si](c4ccccc4)(c4ccccc4)c4ccc5c(sc6ccccc65)c43)ccc2)cccc1-c1ccccn1
InChIInChI=1S/C46H29N3OSSi.Pd/c1-3-18-36(19-4-1)52(37-20-5-2-6-21-37)42-27-26-39-38-22-7-8-24-41(38)51-45(39)44(42)49(46-43(52)25-13-29-48-46)33-15-12-17-35(31-33)50-34-16-11-14-32(30-34)40-23-9-10-28-47-40;/h1-29H;/q-2;+2
InChIKeyNRYCRWIDMZOJNT-UHFFFAOYSA-N
XLogP9.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.33
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)?
The IUPAC name of 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+) (CID 140953969) is 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+).
What is the SMILES notation for 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)?
The canonical SMILES for 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+) is [Pd+2].[c-]1c(Oc2[c-]c(N3c4ncccc4[Si](c4ccccc4)(c4ccccc4)c4ccc5c(sc6ccccc65)c43)ccc2)cccc1-c1ccccn1.
What is the InChIKey of 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)?
The InChIKey is NRYCRWIDMZOJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3OSSi.Pd/c1-3-18-36(19-4-1)52(37-20-5-2-6-21-37)42-27-26-39-38-22-7-8-24-41(38)51-45(39)44(42)49(46-43(52)25-13-29-48-46)33-15-12-17-35(31-33)50-34-16-11-14-32(30-34)40-23-9-10-28-47-40;/h1-29H;/q-2;+2.
What are the key properties of 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)?
14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+) has a molecular weight of 806.33 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+) is sourced from PubChem (CID 140953969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).