2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine

C32H18BrN3O3 — CID 162785278

IUPAC2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine
SMILESBrc1ccc2c(c1)Oc1ccc(-c3nc4ccccc4o3)cc1N2c1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C32H18BrN3O3/c33-21-13-14-25-30(18-21)37-29-15-12-20(32-35-24-9-2-4-11-28(24)39-32)17-26(29)36(25)22-7-5-6-19(16-22)31-34-23-8-1-3-10-27(23)38-31/h1-18H
InChIKeyMXYPYBBCBXUIFL-UHFFFAOYSA-N
MW572.42 g/mol
LogP9.64
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine

2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine (PubChem CID 162785278) has the molecular formula C32H18BrN3O3 and a molecular weight of 572.42 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine
PubChem CID162785278
Molecular FormulaC32H18BrN3O3
Molecular Weight572.42 g/mol
Exact Mass571.05
IUPAC Name2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine
SMILESBrc1ccc2c(c1)Oc1ccc(-c3nc4ccccc4o3)cc1N2c1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C32H18BrN3O3/c33-21-13-14-25-30(18-21)37-29-15-12-20(32-35-24-9-2-4-11-28(24)39-32)17-26(29)36(25)22-7-5-6-19(16-22)31-34-23-8-1-3-10-27(23)38-31/h1-18H
InChIKeyMXYPYBBCBXUIFL-UHFFFAOYSA-N
XLogP9.64
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.42
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine 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

17-(1,3-benzoxazol-2-yl)-14-[3-(1,3-benzoxazol-2-yl)phenyl]-7-dibenzothiophen-2-yl-21-oxa-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 162785394
5,12-bis(1,3-benzoxazol-2-yl)-17-bromo-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 162785290
2,8-bis(1,3-benzoxazol-2-yl)-10-(6,7,8,9-tetradeuteriodibenzofuran-3-yl)phenoxazine
CID 162785370
2-[7-(1,3-benzoxazol-2-yl)-10-(3,5-diphenylphenyl)phenothiazin-3-yl]-1,3-benzoxazole
CID 147925459
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 147387769
2-[6-(1,3-benzoxazol-2-yl)-9-[3-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366409
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine (CID 162785278) is 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine is Brc1ccc2c(c1)Oc1ccc(-c3nc4ccccc4o3)cc1N2c1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine?
The InChIKey is MXYPYBBCBXUIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18BrN3O3/c33-21-13-14-25-30(18-21)37-29-15-12-20(32-35-24-9-2-4-11-28(24)39-32)17-26(29)36(25)22-7-5-6-19(16-22)31-34-23-8-1-3-10-27(23)38-31/h1-18H.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine?
2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine has a molecular weight of 572.42 g/mol, XLogP of 9.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine is sourced from PubChem (CID 162785278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).