7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole

C254H167BrClF2IN16O8 — CID 158826155

About 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole

7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole (PubChem CID 158826155) has the molecular formula C254H167BrClF2IN16O8 and a molecular weight of 3851.49 g/mol. Its IUPAC name is 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole
• PubChem CID: 158826155
• Molecular Formula: C254H167BrClF2IN16O8
• Molecular Weight: 3851.49 g/mol
• Exact Mass: 3847.10
• IUPAC Name: 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole
• SMILES: Brc1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCCc1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc1n2-c1ccccc1.CCc1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc1n2-c1ccccc1.Clc1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.Fc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.Fc1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.Ic1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12
• InChI: InChI=1S/C34H26N2O.C33H24N2O.C32H22N2O.C31H19BrN2O.C31H19ClN2O.2C31H19FN2O.C31H19IN2O/c1-2-8-23-13-19-31-28(21-23)29-22-26(18-20-32(29)36(31)27-9-4-3-5-10-27)24-14-16-25(17-15-24)34-35-30-11-6-7-12-33(30)37-34;1-2-22-12-18-30-27(20-22)28-21-25(17-19-31(28)35(30)26-8-4-3-5-9-26)23-13-15-24(16-14-23)33-34-29-10-6-7-11-32(29)36-33;1-21-11-17-29-26(19-21)27-20-24(16-18-30(27)34(29)25-7-3-2-4-8-25)22-12-14-23(15-13-22)32-33-28-9-5-6-10-31(28)35-32;3*32-26-10-6-11-27-30(26)35-31(33-27)21-15-13-20(14-16-21)22-17-18-29-25(19-22)24-9-4-5-12-28(24)34(29)23-7-2-1-3-8-23;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;32-26-10-6-11-27-30(26)35-31(33-27)21-15-13-20(14-16-21)22-17-18-29-25(19-22)24-9-4-5-12-28(24)34(29)23-7-2-1-3-8-23/h3-7,9-22H,2,8H2,1H3;3-21H,2H2,1H3;2-20H,1H3;5*1-19H
• InChIKey: IWMDVXUOGZSKHA-UHFFFAOYSA-N
• XLogP: 70.19
• TPSA: 247.68 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3851.49
LogP ≤ 5	70.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

The IUPAC name of 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole (CID 158826155) is 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

What is the SMILES notation for 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

The canonical SMILES for 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole is Brc1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCCc1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc1n2-c1ccccc1.CCc1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc1n2-c1ccccc1.Clc1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.Fc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.Fc1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.Ic1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.

What is the InChIKey of 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

The InChIKey is IWMDVXUOGZSKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O.C33H24N2O.C32H22N2O.C31H19BrN2O.C31H19ClN2O.2C31H19FN2O.C31H19IN2O/c1-2-8-23-13-19-31-28(21-23)29-22-26(18-20-32(29)36(31)27-9-4-3-5-10-27)24-14-16-25(17-15-24)34-35-30-11-6-7-12-33(30)37-34;1-2-22-12-18-30-27(20-22)28-21-25(17-19-31(28)35(30)26-8-4-3-5-9-26)23-13-15-24(16-14-23)33-34-29-10-6-7-11-32(29)36-33;1-21-11-17-29-26(19-21)27-20-24(16-18-30(27)34(29)25-7-3-2-4-8-25)22-12-14-23(15-13-22)32-33-28-9-5-6-10-31(28)35-32;3*32-26-10-6-11-27-30(26)35-31(33-27)21-15-13-20(14-16-21)22-17-18-29-25(19-22)24-9-4-5-12-28(24)34(29)23-7-2-1-3-8-23;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;32-26-10-6-11-27-30(26)35-31(33-27)21-15-13-20(14-16-21)22-17-18-29-25(19-22)24-9-4-5-12-28(24)34(29)23-7-2-1-3-8-23/h3-7,9-22H,2,8H2,1H3;3-21H,2H2,1H3;2-20H,1H3;5*1-19H.

What are the key properties of 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole?

7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole has a molecular weight of 3851.49 g/mol, XLogP of 70.19, 27 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-chloro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-ethyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-iodo-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;2-[4-(9-phenyl-6-propylcarbazol-3-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158826155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).