3,4-diphenyl-2H-1,2-benzoxazine

C20H15NO — CID 67246917

IUPAC3,4-diphenyl-2H-1,2-benzoxazine
SMILESc1ccc(C2=C(c3ccccc3)c3ccccc3ON2)cc1
InChIInChI=1S/C20H15NO/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)22-21-20(19)16-11-5-2-6-12-16/h1-14,21H
InChIKeyDDCOPHAVGWOFPN-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.50
Rot. Bonds2

About 3,4-diphenyl-2H-1,2-benzoxazine

3,4-diphenyl-2H-1,2-benzoxazine (PubChem CID 67246917) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,4-diphenyl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3,4-diphenyl-2H-1,2-benzoxazine
PubChem CID67246917
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name3,4-diphenyl-2H-1,2-benzoxazine
SMILESc1ccc(C2=C(c3ccccc3)c3ccccc3ON2)cc1
InChIInChI=1S/C20H15NO/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)22-21-20(19)16-11-5-2-6-12-16/h1-14,21H
InChIKeyDDCOPHAVGWOFPN-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-2h-benzoxazine
CID 67469621
Diamino benzoxazine
CID 70479204
Naphthylbenzoxazine
CID 129800569
Bis-allyl benzoxazine
CID 129833731
3-Phenyl-3,4-dihydro-2h-benzoxazine
CID 129833831
Benzoxazine-phthalonitrile
CID 142436721
Aminophenylbenzoxazin
CID 129760276
Salicylal-1,2-diphenylethanediamine
CID 129765914
Amino-methylbenzoxazine
CID 129782010
Diphenylnaphthoxazine
CID 129815534
Trityl benzoxazine
CID 129831511
3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine
CID 22639485

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2H-1,2-benzoxazine?
The IUPAC name of 3,4-diphenyl-2H-1,2-benzoxazine (CID 67246917) is 3,4-diphenyl-2H-1,2-benzoxazine.
What is the SMILES notation for 3,4-diphenyl-2H-1,2-benzoxazine?
The canonical SMILES for 3,4-diphenyl-2H-1,2-benzoxazine is c1ccc(C2=C(c3ccccc3)c3ccccc3ON2)cc1.
What is the InChIKey of 3,4-diphenyl-2H-1,2-benzoxazine?
The InChIKey is DDCOPHAVGWOFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)22-21-20(19)16-11-5-2-6-12-16/h1-14,21H.
What are the key properties of 3,4-diphenyl-2H-1,2-benzoxazine?
3,4-diphenyl-2H-1,2-benzoxazine has a molecular weight of 285.35 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2H-1,2-benzoxazine is sourced from PubChem (CID 67246917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).