14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene

C52H36N4OSi — CID 140953596

IUPAC14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
SMILESc1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cnc4c(c32)c2ccccc2n4-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C52H36N4OSi/c1-4-19-38(20-5-1)55-47-31-12-13-32-48(47)58(42-24-6-2-7-25-42,43-26-8-3-9-27-43)49-36-54-52-50(51(49)55)44-28-10-11-30-46(44)56(52)39-21-17-23-41(35-39)57-40-22-16-18-37(34-40)45-29-14-15-33-53-45/h1-36H
InChIKeyCCWOCTYZOIWGAX-UHFFFAOYSA-N
MW760.97 g/mol
LogP10.19
Rot. Bonds7

About 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene

14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene (PubChem CID 140953596) has the molecular formula C52H36N4OSi and a molecular weight of 760.97 g/mol. Its IUPAC name is 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene.

Molecular Properties

Compound Name14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
PubChem CID140953596
Molecular FormulaC52H36N4OSi
Molecular Weight760.97 g/mol
Exact Mass760.27
IUPAC Name14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
SMILESc1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cnc4c(c32)c2ccccc2n4-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C52H36N4OSi/c1-4-19-38(20-5-1)55-47-31-12-13-32-48(47)58(42-24-6-2-7-25-42,43-26-8-3-9-27-43)49-36-54-52-50(51(49)55)44-28-10-11-30-46(44)56(52)39-21-17-23-41(35-39)57-40-22-16-18-37(34-40)45-29-14-15-33-53-45/h1-36H
InChIKeyCCWOCTYZOIWGAX-UHFFFAOYSA-N
XLogP10.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.97
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene with MolForge

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Related Compounds

9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140953018
21,21-diphenyl-14-[3-(3-pyridin-2-ylphenoxy)phenyl]-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162482875
9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-21-thia-9,11-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140954729
5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline
CID 140752665
14,14-diphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-21-oxa-9,11-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;21,21-diphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-14-oxa-9,11-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;tetrakis(palladium(2+));14,14,21-triphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene;14,21,21-triphenyl-9-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9,11,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 159008535
11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole
CID 140955513
9-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-14,14-diphenyl-21-thia-9,11-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140955428
10-imidazo[1,2-f]phenanthridin-11-yloxy-5,5,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazole
CID 140955384
8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162768964
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane
CID 140952597
5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
CID 140954421

Frequently Asked Questions

What is the IUPAC name of 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?
The IUPAC name of 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene (CID 140953596) is 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene.
What is the SMILES notation for 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?
The canonical SMILES for 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene is c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cnc4c(c32)c2ccccc2n4-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)cc1.
What is the InChIKey of 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?
The InChIKey is CCWOCTYZOIWGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4OSi/c1-4-19-38(20-5-1)55-47-31-12-13-32-48(47)58(42-24-6-2-7-25-42,43-26-8-3-9-27-43)49-36-54-52-50(51(49)55)44-28-10-11-30-46(44)56(52)39-21-17-23-41(35-39)57-40-22-16-18-37(34-40)45-29-14-15-33-53-45/h1-36H.
What are the key properties of 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?
14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene has a molecular weight of 760.97 g/mol, XLogP of 10.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene is sourced from PubChem (CID 140953596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).