bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide

C24H39Si3- — CID 177457870

IUPACbis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide
SMILESCC(C)(C)[Si](C)(C)[Si-](c1ccc(-c2ccccc2)cc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H39Si3/c1-23(2,3)26(7,8)25(27(9,10)24(4,5)6)22-18-16-21(17-19-22)20-14-12-11-13-15-20/h11-19H,1-10H3/q-1
InChIKeyKABWQVKAQFPRQM-UHFFFAOYSA-N
MW411.83 g/mol
LogP7.23
Rot. Bonds4

About bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide

bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide (PubChem CID 177457870) has the molecular formula C24H39Si3- and a molecular weight of 411.83 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide
PubChem CID177457870
Molecular FormulaC24H39Si3-
Molecular Weight411.83 g/mol
Exact Mass411.24
IUPAC Namebis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide
SMILESCC(C)(C)[Si](C)(C)[Si-](c1ccc(-c2ccccc2)cc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H39Si3/c1-23(2,3)26(7,8)25(27(9,10)24(4,5)6)22-18-16-21(17-19-22)20-14-12-11-13-15-20/h11-19H,1-10H3/q-1
InChIKeyKABWQVKAQFPRQM-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.83
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
tert-butyl-dimethyl-(7-phenylnaphthalen-2-yl)oxysilane
CID 166439727
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
1,1'-biphenyl;toluene
CID 18366440
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-(4-phenylphenyl)propoxy]silane
CID 163281797
1-(1,1-dichloroethyl)-4-phenylbenzene
CID 15702295

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide?
The IUPAC name of bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide (CID 177457870) is bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide is CC(C)(C)[Si](C)(C)[Si-](c1ccc(-c2ccccc2)cc1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide?
The InChIKey is KABWQVKAQFPRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39Si3/c1-23(2,3)26(7,8)25(27(9,10)24(4,5)6)22-18-16-21(17-19-22)20-14-12-11-13-15-20/h11-19H,1-10H3/q-1.
What are the key properties of bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide?
bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide has a molecular weight of 411.83 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl]-(4-phenylphenyl)silanide is sourced from PubChem (CID 177457870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).