2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole

C20H12BrN3O — CID 142721466

IUPAC2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(-c3cccc4c3[nH]c3ccccc34)o2)c1
InChIInChI=1S/C20H12BrN3O/c21-13-6-3-5-12(11-13)19-23-24-20(25-19)16-9-4-8-15-14-7-1-2-10-17(14)22-18(15)16/h1-11,22H
InChIKeyCUZOLYFDVYVUAY-UHFFFAOYSA-N
MW390.24 g/mol
LogP5.80
Rot. Bonds2

About 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole

2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole (PubChem CID 142721466) has the molecular formula C20H12BrN3O and a molecular weight of 390.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole
PubChem CID142721466
Molecular FormulaC20H12BrN3O
Molecular Weight390.24 g/mol
Exact Mass389.02
IUPAC Name2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(-c3cccc4c3[nH]c3ccccc34)o2)c1
InChIInChI=1S/C20H12BrN3O/c21-13-6-3-5-12(11-13)19-23-24-20(25-19)16-9-4-8-15-14-7-1-2-10-17(14)22-18(15)16/h1-11,22H
InChIKeyCUZOLYFDVYVUAY-UHFFFAOYSA-N
XLogP5.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.24
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
CID 163815297
CID 163815297
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
1-[4-(2-bromophenyl)phenyl]-9H-carbazole
CID 175063939
bis[4-(9H-carbazol-1-yl)phenyl]diazene
CID 140514298
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
3-(9H-carbazol-1-yl)aniline
CID 67501137
(2R)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 41218687
2-(3-bromophenyl)-5-(3,4,5-tribromothiophen-2-yl)-1,3,4-oxadiazole
CID 110191403
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole (CID 142721466) is 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole is Brc1cccc(-c2nnc(-c3cccc4c3[nH]c3ccccc34)o2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole?
The InChIKey is CUZOLYFDVYVUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrN3O/c21-13-6-3-5-12(11-13)19-23-24-20(25-19)16-9-4-8-15-14-7-1-2-10-17(14)22-18(15)16/h1-11,22H.
What are the key properties of 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole has a molecular weight of 390.24 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 142721466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).