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

C52H36N4O — CID 139237926

IUPAC2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1nnc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C)o1
InChIInChI=1S/C52H36N4O/c1-33-31-37(35-19-25-39(26-20-35)55-47-15-7-3-11-43(47)44-12-4-8-16-48(44)55)23-29-41(33)51-53-54-52(57-51)42-30-24-38(32-34(42)2)36-21-27-40(28-22-36)56-49-17-9-5-13-45(49)46-14-6-10-18-50(46)56/h3-32H,1-2H3
InChIKeyASZKCHWBQJYUJS-UHFFFAOYSA-N
MW732.89 g/mol
LogP13.55
Rot. Bonds6

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

2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole (PubChem CID 139237926) has the molecular formula C52H36N4O and a molecular weight of 732.89 g/mol. Its IUPAC name is 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
PubChem CID139237926
Molecular FormulaC52H36N4O
Molecular Weight732.89 g/mol
Exact Mass732.29
IUPAC Name2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1nnc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C)o1
InChIInChI=1S/C52H36N4O/c1-33-31-37(35-19-25-39(26-20-35)55-47-15-7-3-11-43(47)44-12-4-8-16-48(44)55)23-29-41(33)51-53-54-52(57-51)42-30-24-38(32-34(42)2)36-21-27-40(28-22-36)56-49-17-9-5-13-45(49)46-14-6-10-18-50(46)56/h3-32H,1-2H3
InChIKeyASZKCHWBQJYUJS-UHFFFAOYSA-N
XLogP13.55
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.89
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 1283422
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-8-fluoro-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(13),5,7,9,11,28-hexaen-22-yl]-5-phenyl-1,3,4-oxadiazole
CID 137649706
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-8-fluoro-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(13),5,7,9,11,28-hexaen-22-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 137650847
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-methylindol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155565000
2-[4-[bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155566721
Acetonitrile;2-[4,5-di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 168345674
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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole (CID 139237926) is 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole is Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1nnc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C)o1.
What is the InChIKey of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?
The InChIKey is ASZKCHWBQJYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4O/c1-33-31-37(35-19-25-39(26-20-35)55-47-15-7-3-11-43(47)44-12-4-8-16-48(44)55)23-29-41(33)51-53-54-52(57-51)42-30-24-38(32-34(42)2)36-21-27-40(28-22-36)56-49-17-9-5-13-45(49)46-14-6-10-18-50(46)56/h3-32H,1-2H3.
What are the key properties of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?
2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole has a molecular weight of 732.89 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139237926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).