6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]

C52H32N8Si — CID 58249902

IUPAC6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]
SMILESc1ccc(-c2ccc3c(c2)nc2n3[Si]3(n4c-2nc2cc(-c5ccccc5)ccc24)n2c(nc4cc(-c5ccccc5)ccc42)-c2nc4cc(-c5ccccc5)ccc4n23)cc1
InChIInChI=1S/C52H32N8Si/c1-5-13-33(14-6-1)37-21-25-45-41(29-37)53-49-50-54-42-30-38(34-15-7-2-8-16-34)22-26-46(42)58(50)61(57(45)49)59-47-27-23-39(35-17-9-3-10-18-35)31-43(47)55-51(59)52-56-44-32-40(24-28-48(44)60(52)61)36-19-11-4-12-20-36/h1-32H
InChIKeyXNRUHOXVSIGUMT-UHFFFAOYSA-N
MW796.97 g/mol
LogP11.64
Rot. Bonds4

About 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]

6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene] (PubChem CID 58249902) has the molecular formula C52H32N8Si and a molecular weight of 796.97 g/mol. Its IUPAC name is 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene].

Molecular Properties

Compound Name6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]
PubChem CID58249902
Molecular FormulaC52H32N8Si
Molecular Weight796.97 g/mol
Exact Mass796.25
IUPAC Name6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]
SMILESc1ccc(-c2ccc3c(c2)nc2n3[Si]3(n4c-2nc2cc(-c5ccccc5)ccc24)n2c(nc4cc(-c5ccccc5)ccc42)-c2nc4cc(-c5ccccc5)ccc4n23)cc1
InChIInChI=1S/C52H32N8Si/c1-5-13-33(14-6-1)37-21-25-45-41(29-37)53-49-50-54-42-30-38(34-15-7-2-8-16-34)22-26-46(42)58(50)61(57(45)49)59-47-27-23-39(35-17-9-3-10-18-35)31-43(47)55-51(59)52-56-44-32-40(24-28-48(44)60(52)61)36-19-11-4-12-20-36/h1-32H
InChIKeyXNRUHOXVSIGUMT-UHFFFAOYSA-N
XLogP11.64
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]?
The IUPAC name of 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene] (CID 58249902) is 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene].
What is the SMILES notation for 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]?
The canonical SMILES for 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene] is c1ccc(-c2ccc3c(c2)nc2n3[Si]3(n4c-2nc2cc(-c5ccccc5)ccc24)n2c(nc4cc(-c5ccccc5)ccc42)-c2nc4cc(-c5ccccc5)ccc4n23)cc1.
What is the InChIKey of 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]?
The InChIKey is XNRUHOXVSIGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N8Si/c1-5-13-33(14-6-1)37-21-25-45-41(29-37)53-49-50-54-42-30-38(34-15-7-2-8-16-34)22-26-46(42)58(50)61(57(45)49)59-47-27-23-39(35-17-9-3-10-18-35)31-43(47)55-51(59)52-56-44-32-40(24-28-48(44)60(52)61)36-19-11-4-12-20-36/h1-32H.
What are the key properties of 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]?
6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene] has a molecular weight of 796.97 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6',16,16'-tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene] is sourced from PubChem (CID 58249902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).