6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

C124H76BrClFIN8O4 — CID 157174244

About 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (PubChem CID 157174244) has the molecular formula C124H76BrClFIN8O4 and a molecular weight of 2003.28 g/mol. Its IUPAC name is 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
• PubChem CID: 157174244
• Molecular Formula: C124H76BrClFIN8O4
• Molecular Weight: 2003.28 g/mol
• Exact Mass: 2000.39
• IUPAC Name: 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
• SMILES: Brc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.Clc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.Fc1ccc2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1.Ic1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1
• InChI: InChI=1S/C31H19BrN2O.C31H19ClN2O.C31H19FN2O.C31H19IN2O/c2*32-23-15-16-27-30(19-23)35-31(33-27)21-12-10-20(11-13-21)22-14-17-29-26(18-22)25-8-4-5-9-28(25)34(29)24-6-2-1-3-7-24;32-23-15-17-30-27(19-23)33-31(35-30)21-12-10-20(11-13-21)22-14-16-29-26(18-22)25-8-4-5-9-28(25)34(29)24-6-2-1-3-7-24;32-23-15-16-27-30(19-23)35-31(33-27)21-12-10-20(11-13-21)22-14-17-29-26(18-22)25-8-4-5-9-28(25)34(29)24-6-2-1-3-7-24/h4*1-19H
• InChIKey: ANUZUQGFPWNJGD-UHFFFAOYSA-N
• XLogP: 35.20
• TPSA: 123.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.28
LogP ≤ 5	35.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

The IUPAC name of 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (CID 157174244) is 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

What is the SMILES notation for 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

The canonical SMILES for 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is Brc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.Clc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.Fc1ccc2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1.Ic1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.

What is the InChIKey of 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

The InChIKey is ANUZUQGFPWNJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrN2O.C31H19ClN2O.C31H19FN2O.C31H19IN2O/c2*32-23-15-16-27-30(19-23)35-31(33-27)21-12-10-20(11-13-21)22-14-17-29-26(18-22)25-8-4-5-9-28(25)34(29)24-6-2-1-3-7-24;32-23-15-17-30-27(19-23)33-31(35-30)21-12-10-20(11-13-21)22-14-16-29-26(18-22)25-8-4-5-9-28(25)34(29)24-6-2-1-3-7-24;32-23-15-16-27-30(19-23)35-31(33-27)21-12-10-20(11-13-21)22-14-17-29-26(18-22)25-8-4-5-9-28(25)34(29)24-6-2-1-3-7-24/h4*1-19H.

What are the key properties of 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole has a molecular weight of 2003.28 g/mol, XLogP of 35.20, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 157174244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).