4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole

C186H114BrCl2FI2N12O6 — CID 158228666

IUPAC4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole
SMILESBrc1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12.Clc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Clc1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12.Fc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Ic1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Ic1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12
InChIInChI=1S/C31H19BrN2O.2C31H19ClN2O.C31H19FN2O.2C31H19IN2O/c32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34;32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34;32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34;2*32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34;32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34/h6*1-19H
InChIKeyGECOOTDEURXSIZ-UHFFFAOYSA-N
MW3036.65 g/mol
LogP52.97
Rot. Bonds18

About 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole

4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole (PubChem CID 158228666) has the molecular formula C186H114BrCl2FI2N12O6 and a molecular weight of 3036.65 g/mol. Its IUPAC name is 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole.

Molecular Properties

Compound Name4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole
PubChem CID158228666
Molecular FormulaC186H114BrCl2FI2N12O6
Molecular Weight3036.65 g/mol
Exact Mass3032.56
IUPAC Name4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole
SMILESBrc1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12.Clc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Clc1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12.Fc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Ic1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Ic1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12
InChIInChI=1S/C31H19BrN2O.2C31H19ClN2O.C31H19FN2O.2C31H19IN2O/c32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34;32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34;32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34;2*32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34;32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34/h6*1-19H
InChIKeyGECOOTDEURXSIZ-UHFFFAOYSA-N
XLogP52.97
TPSA185.76 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003036.65
LogP ≤ 552.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole?
The IUPAC name of 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole (CID 158228666) is 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole.
What is the SMILES notation for 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole?
The canonical SMILES for 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole is Brc1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12.Clc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Clc1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12.Fc1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Ic1cccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Ic1cccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc12.
What is the InChIKey of 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole?
The InChIKey is GECOOTDEURXSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrN2O.2C31H19ClN2O.C31H19FN2O.2C31H19IN2O/c32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34;32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34;32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34;2*32-26-8-5-9-27-30(26)35-31(33-27)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-28-10-3-1-6-24(28)25-7-2-4-11-29(25)34;32-26-8-5-11-29-30(26)33-31(35-29)22-14-12-20(13-15-22)21-16-18-23(19-17-21)34-27-9-3-1-6-24(27)25-7-2-4-10-28(25)34/h6*1-19H.
What are the key properties of 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole?
4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole has a molecular weight of 3036.65 g/mol, XLogP of 52.97, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-chloro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-fluoro-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-iodo-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-iodo-1,3-benzoxazole is sourced from PubChem (CID 158228666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).