12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole

C24H14BrNO — CID 129291278

IUPAC12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1
InChIInChI=1S/C24H14BrNO/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-13-14-20-18-6-2-4-8-22(18)27-24(20)23(19)26/h1-14H
InChIKeyARALUBZWNNVUTP-UHFFFAOYSA-N
MW412.29 g/mol
LogP7.45
Rot. Bonds1

About 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole

12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 129291278) has the molecular formula C24H14BrNO and a molecular weight of 412.29 g/mol. Its IUPAC name is 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID129291278
Molecular FormulaC24H14BrNO
Molecular Weight412.29 g/mol
Exact Mass411.03
IUPAC Name12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1
InChIInChI=1S/C24H14BrNO/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-13-14-20-18-6-2-4-8-22(18)27-24(20)23(19)26/h1-14H
InChIKeyARALUBZWNNVUTP-UHFFFAOYSA-N
XLogP7.45
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
CID 118502561
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195
12-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 171612100
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785

Frequently Asked Questions

What is the IUPAC name of 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole (CID 129291278) is 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole is Brc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.
What is the InChIKey of 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ARALUBZWNNVUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrNO/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-13-14-20-18-6-2-4-8-22(18)27-24(20)23(19)26/h1-14H.
What are the key properties of 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole?
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 412.29 g/mol, XLogP of 7.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 129291278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).