[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane

C28H25NOSi — CID 171056408

IUPAC[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3cccc(-c4nc5ccccc5o4)c3)cc2)c1
InChIInChI=1S/C28H25NOSi/c1-31(2,3)25-11-7-9-23(19-25)21-16-14-20(15-17-21)22-8-6-10-24(18-22)28-29-26-12-4-5-13-27(26)30-28/h4-19H,1-3H3
InChIKeyHJHJLZJIEAWAMQ-UHFFFAOYSA-N
MW419.60 g/mol
LogP7.37
Rot. Bonds4

About [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane

[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 171056408) has the molecular formula C28H25NOSi and a molecular weight of 419.60 g/mol. Its IUPAC name is [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID171056408
Molecular FormulaC28H25NOSi
Molecular Weight419.60 g/mol
Exact Mass419.17
IUPAC Name[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3cccc(-c4nc5ccccc5o4)c3)cc2)c1
InChIInChI=1S/C28H25NOSi/c1-31(2,3)25-11-7-9-23(19-25)21-16-14-20(15-17-21)22-8-6-10-24(18-22)28-29-26-12-4-5-13-27(26)30-28/h4-19H,1-3H3
InChIKeyHJHJLZJIEAWAMQ-UHFFFAOYSA-N
XLogP7.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.60
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056269
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
[3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane
CID 171056589
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
trimethyl-[3-[4-[3-[4-(3-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]silane
CID 101404035
2-[3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 171056439
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803850
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196

Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane (CID 171056408) is [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1cccc(-c2ccc(-c3cccc(-c4nc5ccccc5o4)c3)cc2)c1.
What is the InChIKey of [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is HJHJLZJIEAWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NOSi/c1-31(2,3)25-11-7-9-23(19-25)21-16-14-20(15-17-21)22-8-6-10-24(18-22)28-29-26-12-4-5-13-27(26)30-28/h4-19H,1-3H3.
What are the key properties of [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane?
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 419.60 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 171056408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).