2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine

C31H25NO — CID 10895221

IUPAC2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESc1ccc(CN2C(c3ccccc3)Oc3ccc4ccccc4c3C2c2ccccc2)cc1
InChIInChI=1S/C31H25NO/c1-4-12-23(13-5-1)22-32-30(25-15-6-2-7-16-25)29-27-19-11-10-14-24(27)20-21-28(29)33-31(32)26-17-8-3-9-18-26/h1-21,30-31H,22H2
InChIKeyYVZAVADNEWIPLU-UHFFFAOYSA-N
MW427.55 g/mol
LogP7.52
Rot. Bonds4

About 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine

2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 10895221) has the molecular formula C31H25NO and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID10895221
Molecular FormulaC31H25NO
Molecular Weight427.55 g/mol
Exact Mass427.19
IUPAC Name2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESc1ccc(CN2C(c3ccccc3)Oc3ccc4ccccc4c3C2c2ccccc2)cc1
InChIInChI=1S/C31H25NO/c1-4-12-23(13-5-1)22-32-30(25-15-6-2-7-16-25)29-27-19-11-10-14-24(27)20-21-28(29)33-31(32)26-17-8-3-9-18-26/h1-21,30-31H,22H2
InChIKeyYVZAVADNEWIPLU-UHFFFAOYSA-N
XLogP7.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3S)-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine-2-carbaldehyde
CID 101494058
(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
CID 98199618
(2R,14S)-2-phenyl-13-oxa-1-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4,6,8,10,15,17,19-octaene
CID 162398766
(2S,10S)-10-phenyl-9,13-dioxa-11-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),3,5,7,15,17,19,21-octaen-12-one
CID 101424252
(12R,16R,18S)-16-ethenyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46196603
14-O-ethyl 13-O-methyl (12S,13R,14R,16S)-15-benzyl-11-oxa-15-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene-13,14-dicarboxylate
CID 135012068
(12R,15R,17S)-17-phenyl-15-prop-1-ynyl-11-oxa-16-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8-pentaene
CID 53244138
2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole
CID 102168962
1-phenyl-2,3-dihydro-1H-benzo[f]chromen-3-ol
CID 14316337
(12R,16R,18S)-16-but-3-enyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46198137
1-phenyl-2-[(1R)-1-phenylethyl]-1H-benzo[f][1,3]benzoxazin-3-one
CID 101367290
11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene
CID 4867516

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 10895221) is 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine is c1ccc(CN2C(c3ccccc3)Oc3ccc4ccccc4c3C2c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is YVZAVADNEWIPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO/c1-4-12-23(13-5-1)22-32-30(25-15-6-2-7-16-25)29-27-19-11-10-14-24(27)20-21-28(29)33-31(32)26-17-8-3-9-18-26/h1-21,30-31H,22H2.
What are the key properties of 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 427.55 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-diphenyl-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 10895221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).