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

C32H21N3O — CID 59499399

IUPAC5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3noc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C32H21N3O/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-33-32(36-34-31)25-18-20-26(21-19-25)35-29-12-6-4-10-27(29)28-11-5-7-13-30(28)35/h1-21H
InChIKeyZCFCNUWBPTZVIH-UHFFFAOYSA-N
MW463.54 g/mol
LogP8.17
Rot. Bonds4

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

5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 59499399) has the molecular formula C32H21N3O and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
PubChem CID59499399
Molecular FormulaC32H21N3O
Molecular Weight463.54 g/mol
Exact Mass463.17
IUPAC Name5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3noc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C32H21N3O/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-33-32(36-34-31)25-18-20-26(21-19-25)35-29-12-6-4-10-27(29)28-11-5-7-13-30(28)35/h1-21H
InChIKeyZCFCNUWBPTZVIH-UHFFFAOYSA-N
XLogP8.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
CID 59499367
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 59499440
5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene
CID 159763803
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
5-[4-[3,6-bis(3,6-dimethylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499416
5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
N,N-diphenyl-9-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]carbazol-3-amine
CID 130354199
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)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
CID 59499443
5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 141437647

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole (CID 59499399) is 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole is c1ccc(-c2ccc(-c3noc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZCFCNUWBPTZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-33-32(36-34-31)25-18-20-26(21-19-25)35-29-12-6-4-10-27(29)28-11-5-7-13-30(28)35/h1-21H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 463.54 g/mol, XLogP of 8.17, 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-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59499399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).