benzhydrylbenzene;2H-oxazine

C23H21NO — CID 70579894

IUPACbenzhydrylbenzene;2H-oxazine
SMILESC1=CNOC=C1.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.C4H5NO/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1/h1-15,19H;1-5H
InChIKeySUTLHAAXIRMIOS-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.42
Rot. Bonds3

About benzhydrylbenzene;2H-oxazine

benzhydrylbenzene;2H-oxazine (PubChem CID 70579894) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is benzhydrylbenzene;2H-oxazine.

Molecular Properties

Compound Namebenzhydrylbenzene;2H-oxazine
PubChem CID70579894
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Namebenzhydrylbenzene;2H-oxazine
SMILESC1=CNOC=C1.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.C4H5NO/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1/h1-15,19H;1-5H
InChIKeySUTLHAAXIRMIOS-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzhydrylbenzene;2H-oxazine?
The IUPAC name of benzhydrylbenzene;2H-oxazine (CID 70579894) is benzhydrylbenzene;2H-oxazine.
What is the SMILES notation for benzhydrylbenzene;2H-oxazine?
The canonical SMILES for benzhydrylbenzene;2H-oxazine is C1=CNOC=C1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydrylbenzene;2H-oxazine?
The InChIKey is SUTLHAAXIRMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C4H5NO/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1/h1-15,19H;1-5H.
What are the key properties of benzhydrylbenzene;2H-oxazine?
benzhydrylbenzene;2H-oxazine has a molecular weight of 327.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylbenzene;2H-oxazine is sourced from PubChem (CID 70579894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).