9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole

C24H14BrNO — CID 142742550

IUPAC9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
SMILESBrc1ccc(-c2ccc3[nH]c4c(ccc5oc6ccccc6c54)c3c2)cc1
InChIInChI=1S/C24H14BrNO/c25-16-8-5-14(6-9-16)15-7-11-20-19(13-15)17-10-12-22-23(24(17)26-20)18-3-1-2-4-21(18)27-22/h1-13,26H
InChIKeyXEUNSWXZHHWHDC-UHFFFAOYSA-N
MW412.29 g/mol
LogP7.65
Rot. Bonds1

About 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole

9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole (PubChem CID 142742550) has the molecular formula C24H14BrNO and a molecular weight of 412.29 g/mol. Its IUPAC name is 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
PubChem CID142742550
Molecular FormulaC24H14BrNO
Molecular Weight412.29 g/mol
Exact Mass411.03
IUPAC Name9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
SMILESBrc1ccc(-c2ccc3[nH]c4c(ccc5oc6ccccc6c54)c3c2)cc1
InChIInChI=1S/C24H14BrNO/c25-16-8-5-14(6-9-16)15-7-11-20-19(13-15)17-10-12-22-23(24(17)26-20)18-3-1-2-4-21(18)27-22/h1-13,26H
InChIKeyXEUNSWXZHHWHDC-UHFFFAOYSA-N
XLogP7.65
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174076879
CID 174076879
8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole
CID 143904917
18-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621732
12H-[1]benzofuro[3,2-a]carbazole;ethane
CID 167453025
7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene
CID 118545773
1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole
CID 142568680
23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
CID 132526373
5-[4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 142487640
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
5-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 142487760
6-bromo-2-phenyl-9H-carbazole
CID 118493011
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole (CID 142742550) is 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole is Brc1ccc(-c2ccc3[nH]c4c(ccc5oc6ccccc6c54)c3c2)cc1.
What is the InChIKey of 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole?
The InChIKey is XEUNSWXZHHWHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrNO/c25-16-8-5-14(6-9-16)15-7-11-20-19(13-15)17-10-12-22-23(24(17)26-20)18-3-1-2-4-21(18)27-22/h1-13,26H.
What are the key properties of 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole?
9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole has a molecular weight of 412.29 g/mol, XLogP of 7.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 142742550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).