5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole

C36H23N3O — CID 59499367

IUPAC5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
SMILESc1ccc2c(-c3ccc(-c4noc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cccc2c1
InChIInChI=1S/C36H23N3O/c1-2-10-29-24(8-1)9-7-13-30(29)25-16-18-26(19-17-25)35-37-36(40-38-35)27-20-22-28(23-21-27)39-33-14-5-3-11-31(33)32-12-4-6-15-34(32)39/h1-23H
InChIKeyYAPQTZYGHHIXGA-UHFFFAOYSA-N
MW513.60 g/mol
LogP9.32
Rot. Bonds4

About 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole

5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 59499367) has the molecular formula C36H23N3O and a molecular weight of 513.60 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID59499367
Molecular FormulaC36H23N3O
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC Name5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
SMILESc1ccc2c(-c3ccc(-c4noc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cccc2c1
InChIInChI=1S/C36H23N3O/c1-2-10-29-24(8-1)9-7-13-30(29)25-16-18-26(19-17-25)35-37-36(40-38-35)27-20-22-28(23-21-27)39-33-14-5-3-11-31(33)32-12-4-6-15-34(32)39/h1-23H
InChIKeyYAPQTZYGHHIXGA-UHFFFAOYSA-N
XLogP9.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
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-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499409
5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene
CID 159763803
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
2-bromo-9-(4-naphthalen-1-ylphenyl)carbazole
CID 130250089
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901415
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole (CID 59499367) is 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole is c1ccc2c(-c3ccc(-c4noc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cccc2c1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is YAPQTZYGHHIXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O/c1-2-10-29-24(8-1)9-7-13-30(29)25-16-18-26(19-17-25)35-37-36(40-38-35)27-20-22-28(23-21-27)39-33-14-5-3-11-31(33)32-12-4-6-15-34(32)39/h1-23H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole?
5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 513.60 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59499367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).