3-trityl-2H-oxazine

C23H19NO — CID 70579892

IUPAC3-trityl-2H-oxazine
SMILESC1=CONC(C(c2ccccc2)(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C23H19NO/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20,21-15-8-3-9-16-21)22-17-10-18-25-24-22/h1-18,24H
InChIKeyBFBFSJXGBPFFPV-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.95
Rot. Bonds4

About 3-trityl-2H-oxazine

3-trityl-2H-oxazine (PubChem CID 70579892) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-trityl-2H-oxazine.

Molecular Properties

Compound Name3-trityl-2H-oxazine
PubChem CID70579892
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name3-trityl-2H-oxazine
SMILESC1=CONC(C(c2ccccc2)(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C23H19NO/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20,21-15-8-3-9-16-21)22-17-10-18-25-24-22/h1-18,24H
InChIKeyBFBFSJXGBPFFPV-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.95
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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Related Compounds

1,1,1-triphenyl-N-prop-2-enoxymethanamine
CID 4408428
3,4,5-triphenyl-2H-oxazine
CID 54008469
3-(4,4-Diphenylbutyl)-2,5-dihydro-1,2-oxazole
CID 57185312
N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine
CID 57215443
benzhydrylbenzene;2H-oxazine
CID 70579894
N-[3-phenyl-3-(3-phenylphenyl)prop-1-en-2-yl]hydroxylamine
CID 88250875
N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
CID 89269208
N-ethoxy-3,3,3-triphenylprop-1-en-2-amine
CID 90931753
4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine
CID 91120317
N-methoxy-3,3,3-triphenylprop-1-en-2-amine
CID 91304465
3-benzyl-2H-oxazine
CID 140983227
3,4-diphenyl-2H-oxazine
CID 141073202

Frequently Asked Questions

What is the IUPAC name of 3-trityl-2H-oxazine?
The IUPAC name of 3-trityl-2H-oxazine (CID 70579892) is 3-trityl-2H-oxazine.
What is the SMILES notation for 3-trityl-2H-oxazine?
The canonical SMILES for 3-trityl-2H-oxazine is C1=CONC(C(c2ccccc2)(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of 3-trityl-2H-oxazine?
The InChIKey is BFBFSJXGBPFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20,21-15-8-3-9-16-21)22-17-10-18-25-24-22/h1-18,24H.
What are the key properties of 3-trityl-2H-oxazine?
3-trityl-2H-oxazine has a molecular weight of 325.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trityl-2H-oxazine is sourced from PubChem (CID 70579892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).