2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole

C88H53BrN8O4 — CID 159944733

About 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole

2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole (PubChem CID 159944733) has the molecular formula C88H53BrN8O4 and a molecular weight of 1366.35 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole.

Molecular Properties

• Compound Name: 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole
• PubChem CID: 159944733
• Molecular Formula: C88H53BrN8O4
• Molecular Weight: 1366.35 g/mol
• Exact Mass: 1364.34
• IUPAC Name: 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole
• SMILES: Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1.c1ccc2oc(-c3ccc4c(c3)c3cc(-c5nc6ccccc6o5)ccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1
• InChI: InChI=1S/C44H26N4O2.C26H15N3O2.C18H12BrN/c1-5-13-37-31(9-1)32-10-2-6-14-38(32)47(37)29-19-21-30(22-20-29)48-39-23-17-27(43-45-35-11-3-7-15-41(35)49-43)25-33(39)34-26-28(18-24-40(34)48)44-46-36-12-4-8-16-42(36)50-44;1-3-7-23-21(5-1)28-25(30-23)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-29-22-6-2-4-8-24(22)31-26;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-26H;1-14,27H;1-12H
• InChIKey: OBINMJYURLWQHZ-UHFFFAOYSA-N
• XLogP: 23.98
• TPSA: 134.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1366.35
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole?

The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole (CID 159944733) is 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole.

What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole?

The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1.c1ccc2oc(-c3ccc4c(c3)c3cc(-c5nc6ccccc6o5)ccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.

What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole?

The InChIKey is OBINMJYURLWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2.C26H15N3O2.C18H12BrN/c1-5-13-37-31(9-1)32-10-2-6-14-38(32)47(37)29-19-21-30(22-20-29)48-39-23-17-27(43-45-35-11-3-7-15-41(35)49-43)25-33(39)34-26-28(18-24-40(34)48)44-46-36-12-4-8-16-42(36)50-44;1-3-7-23-21(5-1)28-25(30-23)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-29-22-6-2-4-8-24(22)31-26;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-26H;1-14,27H;1-12H.

What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole?

2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole has a molecular weight of 1366.35 g/mol, XLogP of 23.98, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;9-(4-bromophenyl)carbazole is sourced from PubChem (CID 159944733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).