2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C130H81F3N18O6 — CID 159721764

IUPAC2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1.Cc1nnc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2-c2nnc(C)o2)o1.c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C48H29F3N6O2.C46H28N6O2.C36H24N6O2/c1-28-18-20-29(21-19-28)44-52-54-46(58-44)36-26-42(56-38-14-6-2-10-32(38)33-11-3-7-15-39(33)56)43(57-40-16-8-4-12-34(40)35-13-5-9-17-41(35)57)27-37(36)47-55-53-45(59-47)30-22-24-31(25-23-30)48(49,50)51;1-3-15-29(16-4-1)43-47-49-45(53-43)35-27-41(51-37-23-11-7-19-31(37)32-20-8-12-24-38(32)51)42(28-36(35)46-50-48-44(54-46)30-17-5-2-6-18-30)52-39-25-13-9-21-33(39)34-22-10-14-26-40(34)52;1-21-37-39-35(43-21)27-19-33(41-29-15-7-3-11-23(29)24-12-4-8-16-30(24)41)34(20-28(27)36-40-38-22(2)44-36)42-31-17-9-5-13-25(31)26-14-6-10-18-32(26)42/h2-27H,1H3;1-28H;3-20H,1-2H3
InChIKeyNACYXPJUYGJBAK-UHFFFAOYSA-N
MW2048.19 g/mol
LogP32.55
Rot. Bonds16

About 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 159721764) has the molecular formula C130H81F3N18O6 and a molecular weight of 2048.19 g/mol. Its IUPAC name is 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID159721764
Molecular FormulaC130H81F3N18O6
Molecular Weight2048.19 g/mol
Exact Mass2046.65
IUPAC Name2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1.Cc1nnc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2-c2nnc(C)o2)o1.c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C48H29F3N6O2.C46H28N6O2.C36H24N6O2/c1-28-18-20-29(21-19-28)44-52-54-46(58-44)36-26-42(56-38-14-6-2-10-32(38)33-11-3-7-15-39(33)56)43(57-40-16-8-4-12-34(40)35-13-5-9-17-41(35)57)27-37(36)47-55-53-45(59-47)30-22-24-31(25-23-30)48(49,50)51;1-3-15-29(16-4-1)43-47-49-45(53-43)35-27-41(51-37-23-11-7-19-31(37)32-20-8-12-24-38(32)51)42(28-36(35)46-50-48-44(54-46)30-17-5-2-6-18-30)52-39-25-13-9-21-33(39)34-22-10-14-26-40(34)52;1-21-37-39-35(43-21)27-19-33(41-29-15-7-3-11-23(29)24-12-4-8-16-30(24)41)34(20-28(27)36-40-38-22(2)44-36)42-31-17-9-5-13-25(31)26-14-6-10-18-32(26)42/h2-27H,1H3;1-28H;3-20H,1-2H3
InChIKeyNACYXPJUYGJBAK-UHFFFAOYSA-N
XLogP32.55
TPSA263.10 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.19
LogP ≤ 532.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

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-[4,5-Di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122661578
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 122661579
2-[4,5-Di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661610
2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 142301722
2-[3-Carbazol-9-yl-5-(4-methylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 144409188
2-[4,5-Di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 147423142
2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 155419072
19-[3,5-Bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole
CID 161974417
2-[4-[2-[2-[4-[3-Butan-2-yl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 162587113
2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 163843190
2,5-Bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
CID 139237926

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 159721764) is 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1.Cc1nnc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2-c2nnc(C)o2)o1.c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccccc4)o3)o2)cc1.
What is the InChIKey of 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NACYXPJUYGJBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F3N6O2.C46H28N6O2.C36H24N6O2/c1-28-18-20-29(21-19-28)44-52-54-46(58-44)36-26-42(56-38-14-6-2-10-32(38)33-11-3-7-15-39(33)56)43(57-40-16-8-4-12-34(40)35-13-5-9-17-41(35)57)27-37(36)47-55-53-45(59-47)30-22-24-31(25-23-30)48(49,50)51;1-3-15-29(16-4-1)43-47-49-45(53-43)35-27-41(51-37-23-11-7-19-31(37)32-20-8-12-24-38(32)51)42(28-36(35)46-50-48-44(54-46)30-17-5-2-6-18-30)52-39-25-13-9-21-33(39)34-22-10-14-26-40(34)52;1-21-37-39-35(43-21)27-19-33(41-29-15-7-3-11-23(29)24-12-4-8-16-30(24)41)34(20-28(27)36-40-38-22(2)44-36)42-31-17-9-5-13-25(31)26-14-6-10-18-32(26)42/h2-27H,1H3;1-28H;3-20H,1-2H3.
What are the key properties of 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 2048.19 g/mol, XLogP of 32.55, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 159721764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).