2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole
C141H86Br4N4O3 — CID 161096724
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole
SMILESBrc1ccccc1-c1ccc2c3c4ccccc4ccc3n(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)oc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4c3oc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4oc5ccccc5c34)c2c1
InChIInChI=1S/C51H32BrN.3C30H18BrNO/c52-46-22-12-11-19-39(46)35-23-27-43-48(31-35)53(47-30-25-34-14-8-10-21-41(34)50(43)47)38-26-28-42-45(32-38)51(36-15-3-1-4-16-36,37-17-5-2-6-18-37)44-29-24-33-13-7-9-20-40(33)49(42)44;31-25-12-4-1-8-20(25)19-16-17-22-21-9-2-5-13-26(21)32(28(22)18-19)27-14-7-11-24-23-10-3-6-15-29(23)33-30(24)27;31-24-11-4-1-8-20(24)19-16-17-22-21-9-2-5-12-25(21)32(27(22)18-19)26-13-7-15-29-30(26)23-10-3-6-14-28(23)33-29;31-26-10-4-1-7-21(26)19-13-15-23-22-8-2-5-11-27(22)32(28(23)17-19)20-14-16-25-24-9-3-6-12-29(24)33-30(25)18-20/h1-32H;3*1-18H
InChIKeyUHWXSILQUBQVNO-UHFFFAOYSA-N
MW2203.88 g/mol
LogP41.22
Rot. Bonds10
About 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole
2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole (PubChem CID 161096724) has the molecular formula C141H86Br4N4O3 and a molecular weight of 2203.88 g/mol. Its IUPAC name is 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole.
Molecular Properties
| Compound Name | 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole |
|---|---|
| PubChem CID | 161096724 |
| Molecular Formula | C141H86Br4N4O3 |
| Molecular Weight | 2203.88 g/mol |
| Exact Mass | 2198.34 |
| IUPAC Name | 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole |
| SMILES | Brc1ccccc1-c1ccc2c3c4ccccc4ccc3n(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)oc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4c3oc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4oc5ccccc5c34)c2c1 |
| InChI | InChI=1S/C51H32BrN.3C30H18BrNO/c52-46-22-12-11-19-39(46)35-23-27-43-48(31-35)53(47-30-25-34-14-8-10-21-41(34)50(43)47)38-26-28-42-45(32-38)51(36-15-3-1-4-16-36,37-17-5-2-6-18-37)44-29-24-33-13-7-9-20-40(33)49(42)44;31-25-12-4-1-8-20(25)19-16-17-22-21-9-2-5-13-26(21)32(28(22)18-19)27-14-7-11-24-23-10-3-6-15-29(23)33-30(24)27;31-24-11-4-1-8-20(24)19-16-17-22-21-9-2-5-12-25(21)32(27(22)18-19)26-13-7-15-29-30(26)23-10-3-6-14-28(23)33-29;31-26-10-4-1-7-21(26)19-13-15-23-22-8-2-5-11-27(22)32(28(23)17-19)20-14-16-25-24-9-3-6-12-29(24)33-30(25)18-20/h1-32H;3*1-18H |
| InChIKey | UHWXSILQUBQVNO-UHFFFAOYSA-N |
| XLogP | 41.22 |
| TPSA | 59.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 152 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2203.88 |
| LogP ≤ 5 | 41.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Frequently Asked Questions
What is the IUPAC name of 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole?
The IUPAC name of 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole (CID 161096724) is 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole.
What is the SMILES notation for 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole?
The canonical SMILES for 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole is Brc1ccccc1-c1ccc2c3c4ccccc4ccc3n(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)oc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4c3oc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4oc5ccccc5c34)c2c1.
What is the InChIKey of 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole?
The InChIKey is UHWXSILQUBQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32BrN.3C30H18BrNO/c52-46-22-12-11-19-39(46)35-23-27-43-48(31-35)53(47-30-25-34-14-8-10-21-41(34)50(43)47)38-26-28-42-45(32-38)51(36-15-3-1-4-16-36,37-17-5-2-6-18-37)44-29-24-33-13-7-9-20-40(33)49(42)44;31-25-12-4-1-8-20(25)19-16-17-22-21-9-2-5-13-26(21)32(28(22)18-19)27-14-7-11-24-23-10-3-6-15-29(23)33-30(24)27;31-24-11-4-1-8-20(24)19-16-17-22-21-9-2-5-12-25(21)32(27(22)18-19)26-13-7-15-29-30(26)23-10-3-6-14-28(23)33-29;31-26-10-4-1-7-21(26)19-13-15-23-22-8-2-5-11-27(22)32(28(23)17-19)20-14-16-25-24-9-3-6-12-29(24)33-30(25)18-20/h1-32H;3*1-18H.
What are the key properties of 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole?
2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole has a molecular weight of 2203.88 g/mol, XLogP of 41.22, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-9-dibenzofuran-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-4-ylcarbazole;9-(2-bromophenyl)-7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[c]carbazole is sourced from PubChem (CID 161096724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161096724 — identifiers, structure, computed properties (public domain)
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