3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine

C26H37NO — CID 70861911

IUPAC3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine
SMILESCCCC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1N2C(C)(C)C
InChIInChI=1S/C26H37NO/c1-10-15-26(8,9)19-12-14-21-23(17-19)28-22-16-18(24(2,3)4)11-13-20(22)27(21)25(5,6)7/h11-14,16-17H,10,15H2,1-9H3
InChIKeyMNQYUEJPKHBRRZ-UHFFFAOYSA-N
MW379.59 g/mol
LogP8.10
Rot. Bonds3

About 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine

3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine (PubChem CID 70861911) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine.

Molecular Properties

Compound Name3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine
PubChem CID70861911
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine
SMILESCCCC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1N2C(C)(C)C
InChIInChI=1S/C26H37NO/c1-10-15-26(8,9)19-12-14-21-23(17-19)28-22-16-18(24(2,3)4)11-13-20(22)27(21)25(5,6)7/h11-14,16-17H,10,15H2,1-9H3
InChIKeyMNQYUEJPKHBRRZ-UHFFFAOYSA-N
XLogP8.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine?
The IUPAC name of 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine (CID 70861911) is 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine.
What is the SMILES notation for 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine?
The canonical SMILES for 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine is CCCC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1N2C(C)(C)C.
What is the InChIKey of 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine?
The InChIKey is MNQYUEJPKHBRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-10-15-26(8,9)19-12-14-21-23(17-19)28-22-16-18(24(2,3)4)11-13-20(22)27(21)25(5,6)7/h11-14,16-17H,10,15H2,1-9H3.
What are the key properties of 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine?
3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine has a molecular weight of 379.59 g/mol, XLogP of 8.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine is sourced from PubChem (CID 70861911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).