5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole

C28H27NOSi — CID 58249934

IUPAC5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole
SMILESCc1ccc([Si]2(c3ccc(C)cc3)Oc3cc(C)c(C)cc3N2c2ccccc2)cc1
InChIInChI=1S/C28H27NOSi/c1-20-10-14-25(15-11-20)31(26-16-12-21(2)13-17-26)29(24-8-6-5-7-9-24)27-18-22(3)23(4)19-28(27)30-31/h5-19H,1-4H3
InChIKeyDTBLMWUJPCVRRJ-UHFFFAOYSA-N
MW421.62 g/mol
LogP5.71
Rot. Bonds3

About 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole

5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole (PubChem CID 58249934) has the molecular formula C28H27NOSi and a molecular weight of 421.62 g/mol. Its IUPAC name is 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole.

Molecular Properties

Compound Name5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole
PubChem CID58249934
Molecular FormulaC28H27NOSi
Molecular Weight421.62 g/mol
Exact Mass421.19
IUPAC Name5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole
SMILESCc1ccc([Si]2(c3ccc(C)cc3)Oc3cc(C)c(C)cc3N2c2ccccc2)cc1
InChIInChI=1S/C28H27NOSi/c1-20-10-14-25(15-11-20)31(26-16-12-21(2)13-17-26)29(24-8-6-5-7-9-24)27-18-22(3)23(4)19-28(27)30-31/h5-19H,1-4H3
InChIKeyDTBLMWUJPCVRRJ-UHFFFAOYSA-N
XLogP5.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.62
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole?
The IUPAC name of 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole (CID 58249934) is 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole.
What is the SMILES notation for 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole?
The canonical SMILES for 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole is Cc1ccc([Si]2(c3ccc(C)cc3)Oc3cc(C)c(C)cc3N2c2ccccc2)cc1.
What is the InChIKey of 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole?
The InChIKey is DTBLMWUJPCVRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NOSi/c1-20-10-14-25(15-11-20)31(26-16-12-21(2)13-17-26)29(24-8-6-5-7-9-24)27-18-22(3)23(4)19-28(27)30-31/h5-19H,1-4H3.
What are the key properties of 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole?
5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole has a molecular weight of 421.62 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole is sourced from PubChem (CID 58249934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).