5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium

C54H35FN3PdSi-3 — CID 162483242

IUPAC5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium
SMILESFC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(N2c3[c-]cccc3[Si](c3ccccc3)(c3ccccc3)c3c2ccc2c3c3ccccc3n2-c2ccccc2)ccc1.[Pd]
InChIInChI=1S/C54H35FN3Si.Pd/c55-53(39-19-16-18-38(36-39)46-29-14-15-35-56-46)40-20-17-23-42(37-40)58-48-31-12-13-32-51(48)59(43-24-6-2-7-25-43,44-26-8-3-9-27-44)54-50(58)34-33-49-52(54)45-28-10-11-30-47(45)57(49)41-21-4-1-5-22-41;/h1-30,32-35,53H;/q-3;
InChIKeyOQVBXCZNSYLJSC-UHFFFAOYSA-N
MW879.40 g/mol
LogP10.46
Rot. Bonds7

About 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium

5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium (PubChem CID 162483242) has the molecular formula C54H35FN3PdSi-3 and a molecular weight of 879.40 g/mol. Its IUPAC name is 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium.

Molecular Properties

Compound Name5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium
PubChem CID162483242
Molecular FormulaC54H35FN3PdSi-3
Molecular Weight879.40 g/mol
Exact Mass878.16
IUPAC Name5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium
SMILESFC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(N2c3[c-]cccc3[Si](c3ccccc3)(c3ccccc3)c3c2ccc2c3c3ccccc3n2-c2ccccc2)ccc1.[Pd]
InChIInChI=1S/C54H35FN3Si.Pd/c55-53(39-19-16-18-38(36-39)46-29-14-15-35-56-46)40-20-17-23-42(37-40)58-48-31-12-13-32-51(48)59(43-24-6-2-7-25-43,44-26-8-3-9-27-44)54-50(58)34-33-49-52(54)45-28-10-11-30-47(45)57(49)41-21-4-1-5-22-41;/h1-30,32-35,53H;/q-3;
InChIKeyOQVBXCZNSYLJSC-UHFFFAOYSA-N
XLogP10.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.40
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium with MolForge

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Related Compounds

palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide
CID 162483064
14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-3-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-9-oxa-14,16-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-3-thia-14,16-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-diphenyl-9-thia-14,16-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-9,21,21-triphenyl-9,14,16-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
CID 159023276
21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-3-thia-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-diphenyl-3-oxa-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;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-3,14,14-triphenyl-3,19,21-triaza-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;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-9,14,14-triphenyl-9,19,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
CID 163432012
14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-oxa-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-10-thia-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-10-thia-19,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;pentakis(palladium(2+))
CID 157159904
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-21,21-diphenyl-10-oxa-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-14,14-diphenyl-10-oxa-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;14-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-10,21,21-triphenyl-10,14,16-triaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;21-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]-10,14,14-triphenyl-10,19,21-triaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;tetrakis(palladium(2+))
CID 163462671
CID 160577640
CID 160577640
14,14-diphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;21,21-diphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-14-oxa-7,9-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;tetrakis(palladium(2+));14,14,21-triphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7,9,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;14,21,21-triphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159969080
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole
CID 140951950
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489

Frequently Asked Questions

What is the IUPAC name of 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium?
The IUPAC name of 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium (CID 162483242) is 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium.
What is the SMILES notation for 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium?
The canonical SMILES for 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium is FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(N2c3[c-]cccc3[Si](c3ccccc3)(c3ccccc3)c3c2ccc2c3c3ccccc3n2-c2ccccc2)ccc1.[Pd].
What is the InChIKey of 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium?
The InChIKey is OQVBXCZNSYLJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN3Si.Pd/c55-53(39-19-16-18-38(36-39)46-29-14-15-35-56-46)40-20-17-23-42(37-40)58-48-31-12-13-32-51(48)59(43-24-6-2-7-25-43,44-26-8-3-9-27-44)54-50(58)34-33-49-52(54)45-28-10-11-30-47(45)57(49)41-21-4-1-5-22-41;/h1-30,32-35,53H;/q-3;.
What are the key properties of 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium?
5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium has a molecular weight of 879.40 g/mol, XLogP of 10.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-8,13,13-triphenyl-4H-[1,4]benzazasilino[2,3-c]carbazol-4-ide;palladium is sourced from PubChem (CID 162483242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).