2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole

C35H25N3O2 — CID 67516225

IUPAC2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(COc2cccc(-c3nnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)o3)c2)cc1
InChIInChI=1S/C35H25N3O2/c1-2-24-14-16-25(17-15-24)23-39-29-9-7-8-27(22-29)35-37-36-34(40-35)26-18-20-28(21-19-26)38-32-12-5-3-10-30(32)31-11-4-6-13-33(31)38/h2-22H,1,23H2
InChIKeyWLVYCZHZPFPMFO-UHFFFAOYSA-N
MW519.60 g/mol
LogP8.72
Rot. Bonds7

About 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole

2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 67516225) has the molecular formula C35H25N3O2 and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID67516225
Molecular FormulaC35H25N3O2
Molecular Weight519.60 g/mol
Exact Mass519.19
IUPAC Name2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(COc2cccc(-c3nnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)o3)c2)cc1
InChIInChI=1S/C35H25N3O2/c1-2-24-14-16-25(17-15-24)23-39-29-9-7-8-27(22-29)35-37-36-34(40-35)26-18-20-28(21-19-26)38-32-12-5-3-10-30(32)31-11-4-6-13-33(31)38/h2-22H,1,23H2
InChIKeyWLVYCZHZPFPMFO-UHFFFAOYSA-N
XLogP8.72
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 19542172
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
2-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59489332
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
2-[3,5-di(carbazol-9-yl)phenyl]-5-[3-(6-ethenylnona-3,5,7-trienoxy)phenyl]-1,3,4-oxadiazole
CID 90720041
2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole
CID 143740108
(4-carbazol-9-ylphenyl)-(4-ethenylphenyl)-dimethylsilane
CID 59489115
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole (CID 67516225) is 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole is C=Cc1ccc(COc2cccc(-c3nnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)o3)c2)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is WLVYCZHZPFPMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O2/c1-2-24-14-16-25(17-15-24)23-39-29-9-7-8-27(22-29)35-37-36-34(40-35)26-18-20-28(21-19-26)38-32-12-5-3-10-30(32)31-11-4-6-13-33(31)38/h2-22H,1,23H2.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 519.60 g/mol, XLogP of 8.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 67516225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).