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

C32H27NOSi — CID 171056589

IUPAC[3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2cccc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)c2)c1
InChIInChI=1S/C32H27NOSi/c1-35(2,3)25-13-9-11-23(21-25)22-10-8-12-24(20-22)26-18-19-29(28-15-5-4-14-27(26)28)32-33-30-16-6-7-17-31(30)34-32/h4-21H,1-3H3
InChIKeyYDHVCGLGOWCBDB-UHFFFAOYSA-N
MW469.66 g/mol
LogP8.53
Rot. Bonds4

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

[3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane (PubChem CID 171056589) has the molecular formula C32H27NOSi and a molecular weight of 469.66 g/mol. Its IUPAC name is [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane
PubChem CID171056589
Molecular FormulaC32H27NOSi
Molecular Weight469.66 g/mol
Exact Mass469.19
IUPAC Name[3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2cccc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)c2)c1
InChIInChI=1S/C32H27NOSi/c1-35(2,3)25-13-9-11-23(21-25)22-10-8-12-24(20-22)26-18-19-29(28-15-5-4-14-27(26)28)32-33-30-16-6-7-17-31(30)34-32/h4-21H,1-3H3
InChIKeyYDHVCGLGOWCBDB-UHFFFAOYSA-N
XLogP8.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.66
LogP ≤ 58.53
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
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
2-[4-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole
CID 164803943
2-[4-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole
CID 171056574
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 157124989
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
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-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[3-(1,3-benzoxazol-2-yl)-5-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803799
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373

Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane (CID 171056589) is [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1cccc(-c2cccc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)c2)c1.
What is the InChIKey of [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane?
The InChIKey is YDHVCGLGOWCBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NOSi/c1-35(2,3)25-13-9-11-23(21-25)22-10-8-12-24(20-22)26-18-19-29(28-15-5-4-14-27(26)28)32-33-30-16-6-7-17-31(30)34-32/h4-21H,1-3H3.
What are the key properties of [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane?
[3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane has a molecular weight of 469.66 g/mol, XLogP of 8.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 171056589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).