2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene

C26H20N4Si2 — CID 102419388

IUPAC2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene
SMILESC1=N[Si](c2ccccc2)(c2ccccc2)N=C=N[Si](c2ccccc2)(c2ccccc2)N=1
InChIInChI=1S/C26H20N4Si2/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)27-21-29-32(30-22-28-31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
InChIKeyOTCIYXUSQSSJOV-UHFFFAOYSA-N
MW444.65 g/mol
LogP2.86
Rot. Bonds4

About 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene

2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene (PubChem CID 102419388) has the molecular formula C26H20N4Si2 and a molecular weight of 444.65 g/mol. Its IUPAC name is 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene.

Molecular Properties

Compound Name2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene
PubChem CID102419388
Molecular FormulaC26H20N4Si2
Molecular Weight444.65 g/mol
Exact Mass444.12
IUPAC Name2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene
SMILESC1=N[Si](c2ccccc2)(c2ccccc2)N=C=N[Si](c2ccccc2)(c2ccccc2)N=1
InChIInChI=1S/C26H20N4Si2/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)27-21-29-32(30-22-28-31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
InChIKeyOTCIYXUSQSSJOV-UHFFFAOYSA-N
XLogP2.86
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetraphenyldisilinane
CID 86071177
1,1-diphenylsilocane
CID 69463623
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820
2,2,4,4-tetraphenyl-1,3,2,4-dioxadisiletane
CID 15436049
1,1-diphenylsilolan-2-ol
CID 71387428
(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane
CID 177387413
diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bis(diphenylphosphane);nickel
CID 172733587
diphenylmethylbenzene fluoride
CID 87590605
(1,1-diphenylsilolan-2-yl)oxy-trimethylsilane
CID 71387423
3-methyl-3-phenyldioxasilirane
CID 57317747

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene?
The IUPAC name of 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene (CID 102419388) is 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene.
What is the SMILES notation for 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene?
The canonical SMILES for 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene is C1=N[Si](c2ccccc2)(c2ccccc2)N=C=N[Si](c2ccccc2)(c2ccccc2)N=1.
What is the InChIKey of 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene?
The InChIKey is OTCIYXUSQSSJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4Si2/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)27-21-29-32(30-22-28-31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H.
What are the key properties of 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene?
2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene has a molecular weight of 444.65 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene is sourced from PubChem (CID 102419388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).