(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane

C16H22Si4Te3 — CID 177387413

IUPAC(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane
SMILESC[Si]1(c2ccccc2)[Te][Si@]2(C)[Te][Si@]1(C)[Te][Si@@]2(C)c1ccccc1
InChIInChI=1S/C16H22Si4Te3/c1-17(15-11-7-5-8-12-15)19(3)22-18(2,20(4,21-17)23-19)16-13-9-6-10-14-16/h5-14H,1-4H3/t17-,18?,19+,20-/m0/s1
InChIKeyYMMQQZSCUHDHHY-XGKJMYGNSA-N
MW709.50 g/mol
LogP1.39
Rot. Bonds2

About (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane

(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane (PubChem CID 177387413) has the molecular formula C16H22Si4Te3 and a molecular weight of 709.50 g/mol. Its IUPAC name is (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane
PubChem CID177387413
Molecular FormulaC16H22Si4Te3
Molecular Weight709.50 g/mol
Exact Mass715.80
IUPAC Name(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane
SMILESC[Si]1(c2ccccc2)[Te][Si@]2(C)[Te][Si@]1(C)[Te][Si@@]2(C)c1ccccc1
InChIInChI=1S/C16H22Si4Te3/c1-17(15-11-7-5-8-12-15)19(3)22-18(2,20(4,21-17)23-19)16-13-9-6-10-14-16/h5-14H,1-4H3/t17-,18?,19+,20-/m0/s1
InChIKeyYMMQQZSCUHDHHY-XGKJMYGNSA-N
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.50
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2,3,3,4,4,5-nonamethyl-5-phenylpentasilolane
CID 13004938
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane
CID 15717312
3-methyl-3-phenyldioxasilirane
CID 57317747
2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane
CID 101044204
2,2,6,6-tetramethyl-4,4,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetrazatetrasilocane
CID 12550610
2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine
CID 177288427
2,2,4,4,6,6-hexamethyl-8,8,10,10-tetraphenyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 6429726
1,1,2,6,6,7-hexamethyl-2,7-diphenyl-1,2,6,7-tetrasilecane
CID 11729896
2,2,6,6-tetraphenyl-1,3,5,7-tetraza-2,6-disilacycloocta-3,4,7,8-tetraene
CID 102419388
2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
CID 13425887
4-methyl-4-phenyl-1,4-azasilinane
CID 66925910

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane?
The IUPAC name of (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) is (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane is C[Si]1(c2ccccc2)[Te][Si@]2(C)[Te][Si@]1(C)[Te][Si@@]2(C)c1ccccc1.
What is the InChIKey of (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane?
The InChIKey is YMMQQZSCUHDHHY-XGKJMYGNSA-N. The full InChI is InChI=1S/C16H22Si4Te3/c1-17(15-11-7-5-8-12-15)19(3)22-18(2,20(4,21-17)23-19)16-13-9-6-10-14-16/h5-14H,1-4H3/t17-,18?,19+,20-/m0/s1.
What are the key properties of (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane?
(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane has a molecular weight of 709.50 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane is sourced from PubChem (CID 177387413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).