7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine

C21H16N2O — CID 101460737

IUPAC7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine
SMILESCc1ccc2c(c1)N=C(c1ccccc1)OC(c1ccccc1)=N2
InChIInChI=1S/C21H16N2O/c1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)24-20(22-18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyFFSOXTWRDHKIRY-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.18
Rot. Bonds2

About 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine

7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine (PubChem CID 101460737) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine.

Molecular Properties

Compound Name7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine
PubChem CID101460737
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine
SMILESCc1ccc2c(c1)N=C(c1ccccc1)OC(c1ccccc1)=N2
InChIInChI=1S/C21H16N2O/c1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)24-20(22-18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyFFSOXTWRDHKIRY-UHFFFAOYSA-N
XLogP5.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene
CID 118881886
7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine
CID 118129533
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
3,8-dimethyl-5,6-diphenylbenzo[b][1]benzoxepine
CID 13167351
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
4-[[5-methyl-2-[3-(4-methylphenoxy)propoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2930060
(4E)-4-[[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6084787
4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one
CID 101166655
4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248
(4Z)-2-(3-methylphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 683749

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine?
The IUPAC name of 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine (CID 101460737) is 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine.
What is the SMILES notation for 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine?
The canonical SMILES for 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine is Cc1ccc2c(c1)N=C(c1ccccc1)OC(c1ccccc1)=N2.
What is the InChIKey of 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine?
The InChIKey is FFSOXTWRDHKIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)24-20(22-18)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine?
7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine has a molecular weight of 312.37 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine is sourced from PubChem (CID 101460737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).