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

C50H32N4O — CID 102232238

IUPAC2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C50H32N4O/c1-3-19-43(37(13-1)33-25-29-35(30-26-33)53-45-21-9-5-15-39(45)40-16-6-10-22-46(40)53)49-51-52-50(55-49)44-20-4-2-14-38(44)34-27-31-36(32-28-34)54-47-23-11-7-17-41(47)42-18-8-12-24-48(42)54/h1-32H
InChIKeyXJDYLIZFYVFBOE-UHFFFAOYSA-N
MW704.83 g/mol
LogP12.93
Rot. Bonds6

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

2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 102232238) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID102232238
Molecular FormulaC50H32N4O
Molecular Weight704.83 g/mol
Exact Mass704.26
IUPAC Name2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C50H32N4O/c1-3-19-43(37(13-1)33-25-29-35(30-26-33)53-45-21-9-5-15-39(45)40-16-6-10-22-46(40)53)49-51-52-50(55-49)44-20-4-2-14-38(44)34-27-31-36(32-28-34)54-47-23-11-7-17-41(47)42-18-8-12-24-48(42)54/h1-32H
InChIKeyXJDYLIZFYVFBOE-UHFFFAOYSA-N
XLogP12.93
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl}-2,3,4,9-tetrahydro-1H-carbazole
CID 1390051
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4,6,8,10,12,28-hexaen-22-yl]-5-phenyl-1,3,4-oxadiazole
CID 137651070
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4,6,8,10,12,28-hexaen-22-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 137659110
2-[4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155556585
2-[4-[Bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155562117
2-[4-[bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155566721
1-(2,3-Dimethyl-indol-1-yl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1153034
2-(2-Carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 59806411
9-{4-[5-(4-t-Butylphenyl)-[1,3,4] oxadiazol-2-yl]-benzyl}-9h-carbazole
CID 101416588
2,5-Bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
CID 102168461
2,5-Bis(2-(9h-carbazole-9-yl)phenyl)-1,3,4-oxadiazole
CID 102521602
2-[4,5-Di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122661578

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole (CID 102232238) is 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is XJDYLIZFYVFBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-3-19-43(37(13-1)33-25-29-35(30-26-33)53-45-21-9-5-15-39(45)40-16-6-10-22-46(40)53)49-51-52-50(55-49)44-20-4-2-14-38(44)34-27-31-36(32-28-34)54-47-23-11-7-17-41(47)42-18-8-12-24-48(42)54/h1-32H.
What are the key properties of 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole?
2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 704.83 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 102232238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).