5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene

C53H36BrN5O2 — CID 159763803

IUPAC5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene
SMILESBrc1ccc(-c2nc(-c3ccccc3)no2)cc1.c1ccc(-c2noc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H17N3O.C14H9BrN2O.C13H10/c1-2-8-18(9-3-1)25-27-26(30-28-25)19-14-16-20(17-15-19)29-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29;15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-17H;1-9H;1-8H,9H2
InChIKeyNFFVSRCENQPPRH-UHFFFAOYSA-N
MW854.81 g/mol
LogP13.92
Rot. Bonds5

About 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene

5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene (PubChem CID 159763803) has the molecular formula C53H36BrN5O2 and a molecular weight of 854.81 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene
PubChem CID159763803
Molecular FormulaC53H36BrN5O2
Molecular Weight854.81 g/mol
Exact Mass853.21
IUPAC Name5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene
SMILESBrc1ccc(-c2nc(-c3ccccc3)no2)cc1.c1ccc(-c2noc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H17N3O.C14H9BrN2O.C13H10/c1-2-8-18(9-3-1)25-27-26(30-28-25)19-14-16-20(17-15-19)29-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29;15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-17H;1-9H;1-8H,9H2
InChIKeyNFFVSRCENQPPRH-UHFFFAOYSA-N
XLogP13.92
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.81
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
CID 59499367
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
2-(4-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;9H-fluorene
CID 160836570
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine;N-(9H-fluoren-3-yl)-N-phenyl-9H-carbazol-3-amine
CID 158936176
CID 164966273
CID 164966273
5-[4-[3-(3-naphthalen-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;5-[4-[3-(3-naphthalen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;3-phenyl-5-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-1,2,4-oxadiazole
CID 159091440
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 59499440
5-[4-[3,6-bis(3,6-dimethylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499416
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene?
The IUPAC name of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene (CID 159763803) is 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene.
What is the SMILES notation for 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene?
The canonical SMILES for 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene is Brc1ccc(-c2nc(-c3ccccc3)no2)cc1.c1ccc(-c2noc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene?
The InChIKey is NFFVSRCENQPPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O.C14H9BrN2O.C13H10/c1-2-8-18(9-3-1)25-27-26(30-28-25)19-14-16-20(17-15-19)29-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29;15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-17H;1-9H;1-8H,9H2.
What are the key properties of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene?
5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene has a molecular weight of 854.81 g/mol, XLogP of 13.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene is sourced from PubChem (CID 159763803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).