4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole

C200H120Br2Cl2F2I2N16O8 — CID 158850106

IUPAC4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole
SMILESBrc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.Brc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Clc1cccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc12.Clc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Fc1cccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc12.Fc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Ic1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.Ic1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12
InChIInChI=1S/2C25H15BrN2O.2C25H15ClN2O.2C25H15FN2O.2C25H15IN2O/c26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-17-11-14-24-21(15-17)27-25(29-24)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28;26-20-8-5-9-21-24(20)29-25(27-21)16-12-14-17(15-13-16)28-22-10-3-1-6-18(22)19-7-2-4-11-23(19)28;26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-20-8-5-9-21-24(20)29-25(27-21)16-12-14-17(15-13-16)28-22-10-3-1-6-18(22)19-7-2-4-11-23(19)28;2*26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-17-11-14-24-21(15-17)27-25(29-24)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28/h8*1-15H
InChIKeyIZILNJKORXNUAN-UHFFFAOYSA-N
MW3397.78 g/mol
LogP57.05
Rot. Bonds16

About 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole

4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole (PubChem CID 158850106) has the molecular formula C200H120Br2Cl2F2I2N16O8 and a molecular weight of 3397.78 g/mol. Its IUPAC name is 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole.

Molecular Properties

Compound Name4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole
PubChem CID158850106
Molecular FormulaC200H120Br2Cl2F2I2N16O8
Molecular Weight3397.78 g/mol
Exact Mass3392.53
IUPAC Name4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole
SMILESBrc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.Brc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Clc1cccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc12.Clc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Fc1cccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc12.Fc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Ic1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.Ic1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12
InChIInChI=1S/2C25H15BrN2O.2C25H15ClN2O.2C25H15FN2O.2C25H15IN2O/c26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-17-11-14-24-21(15-17)27-25(29-24)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28;26-20-8-5-9-21-24(20)29-25(27-21)16-12-14-17(15-13-16)28-22-10-3-1-6-18(22)19-7-2-4-11-23(19)28;26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-20-8-5-9-21-24(20)29-25(27-21)16-12-14-17(15-13-16)28-22-10-3-1-6-18(22)19-7-2-4-11-23(19)28;2*26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-17-11-14-24-21(15-17)27-25(29-24)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28/h8*1-15H
InChIKeyIZILNJKORXNUAN-UHFFFAOYSA-N
XLogP57.05
TPSA247.68 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003397.78
LogP ≤ 557.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole?
The IUPAC name of 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole (CID 158850106) is 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole.
What is the SMILES notation for 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole?
The canonical SMILES for 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole is Brc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.Brc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Clc1cccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc12.Clc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Fc1cccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)oc12.Fc1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.Ic1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.Ic1cccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc12.
What is the InChIKey of 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole?
The InChIKey is IZILNJKORXNUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H15BrN2O.2C25H15ClN2O.2C25H15FN2O.2C25H15IN2O/c26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-17-11-14-24-21(15-17)27-25(29-24)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28;26-20-8-5-9-21-24(20)29-25(27-21)16-12-14-17(15-13-16)28-22-10-3-1-6-18(22)19-7-2-4-11-23(19)28;26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-20-8-5-9-21-24(20)29-25(27-21)16-12-14-17(15-13-16)28-22-10-3-1-6-18(22)19-7-2-4-11-23(19)28;2*26-20-8-5-11-23-24(20)27-25(29-23)16-12-14-17(15-13-16)28-21-9-3-1-6-18(21)19-7-2-4-10-22(19)28;26-17-11-14-24-21(15-17)27-25(29-24)16-9-12-18(13-10-16)28-22-7-3-1-5-19(22)20-6-2-4-8-23(20)28/h8*1-15H.
What are the key properties of 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole?
4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole has a molecular weight of 3397.78 g/mol, XLogP of 57.05, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;5-bromo-2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-chloro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-7-fluoro-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-4-iodo-1,3-benzoxazole;2-(4-carbazol-9-ylphenyl)-5-iodo-1,3-benzoxazole is sourced from PubChem (CID 158850106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).