2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole

C26H14Br3N3O — CID 155666616

IUPAC2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(-c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3)o2)c1
InChIInChI=1S/C26H14Br3N3O/c27-17-5-1-3-15(11-17)25-30-31-26(33-25)16-4-2-6-20(12-16)32-23-13-18(28)7-9-21(23)22-10-8-19(29)14-24(22)32/h1-14H
InChIKeyINJYBRALFVQVMZ-UHFFFAOYSA-N
MW624.13 g/mol
LogP8.79
Rot. Bonds3

About 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole

2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 155666616) has the molecular formula C26H14Br3N3O and a molecular weight of 624.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole
PubChem CID155666616
Molecular FormulaC26H14Br3N3O
Molecular Weight624.13 g/mol
Exact Mass620.87
IUPAC Name2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(-c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3)o2)c1
InChIInChI=1S/C26H14Br3N3O/c27-17-5-1-3-15(11-17)25-30-31-26(33-25)16-4-2-6-20(12-16)32-23-13-18(28)7-9-21(23)22-10-8-19(29)14-24(22)32/h1-14H
InChIKeyINJYBRALFVQVMZ-UHFFFAOYSA-N
XLogP8.79
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.13
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593782
2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 126609037
CID 163815297
CID 163815297
2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587567
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593778
2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 122593724
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole
CID 158059699
2-[3-(3-bromophenyl)phenyl]-6,9-diphenylcarbazole
CID 90216159
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole (CID 155666616) is 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole is Brc1cccc(-c2nnc(-c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3)o2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is INJYBRALFVQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Br3N3O/c27-17-5-1-3-15(11-17)25-30-31-26(33-25)16-4-2-6-20(12-16)32-23-13-18(28)7-9-21(23)22-10-8-19(29)14-24(22)32/h1-14H.
What are the key properties of 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 624.13 g/mol, XLogP of 8.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-[3-(2,7-dibromocarbazol-9-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155666616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).