5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine

C28H21NO — CID 102108769

IUPAC5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine
SMILESC1=CC2OC(c3ccccc3)(c3ccccc3)c3ccccc3N2c2ccccc21
InChIInChI=1S/C28H21NO/c1-3-12-22(13-4-1)28(23-14-5-2-6-15-23)24-16-8-10-18-26(24)29-25-17-9-7-11-21(25)19-20-27(29)30-28/h1-20,27H
InChIKeyJXMRBPVIEHHUKH-UHFFFAOYSA-N
MW387.48 g/mol
LogP6.50
Rot. Bonds2

About 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine

5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine (PubChem CID 102108769) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine.

Molecular Properties

Compound Name5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine
PubChem CID102108769
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine
SMILESC1=CC2OC(c3ccccc3)(c3ccccc3)c3ccccc3N2c2ccccc21
InChIInChI=1S/C28H21NO/c1-3-12-22(13-4-1)28(23-14-5-2-6-15-23)24-16-8-10-18-26(24)29-25-17-9-7-11-21(25)19-20-27(29)30-28/h1-20,27H
InChIKeyJXMRBPVIEHHUKH-UHFFFAOYSA-N
XLogP6.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine?
The IUPAC name of 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine (CID 102108769) is 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine.
What is the SMILES notation for 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine?
The canonical SMILES for 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine is C1=CC2OC(c3ccccc3)(c3ccccc3)c3ccccc3N2c2ccccc21.
What is the InChIKey of 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine?
The InChIKey is JXMRBPVIEHHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-3-12-22(13-4-1)28(23-14-5-2-6-15-23)24-16-8-10-18-26(24)29-25-17-9-7-11-21(25)19-20-27(29)30-28/h1-20,27H.
What are the key properties of 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine?
5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine has a molecular weight of 387.48 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-6aH-quinolino[1,2-a][3,1]benzoxazine is sourced from PubChem (CID 102108769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).