2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole

C190H164N8O12 — CID 160559041

IUPAC2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(C(C)(C)C)cc8c7oc7ccc(C(C)(C)C)cc78)c6)o5)c4)cc(C(C)(C)C)cc3c2c1.CC(C)c1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(C(C)C)cc8c7oc7ccc(C(C)C)cc78)c6)o5)c4)cc(C(C)C)cc3c2c1.CCc1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(CC)cc8c7oc7ccc(CC)cc78)c6)o5)c4)cc(CC)cc3c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4nnc(-c5cccc(-c6cccc7c6oc6c(C)cccc67)c5)o4)c3)cccc12
InChIInChI=1S/C54H54N2O3.C50H46N2O3.C46H38N2O3.C40H26N2O3/c1-51(2,3)35-19-21-45-41(25-35)43-29-37(53(7,8)9)27-39(47(43)57-45)31-15-13-17-33(23-31)49-55-56-50(59-49)34-18-14-16-32(24-34)40-28-38(54(10,11)12)30-44-42-26-36(52(4,5)6)20-22-46(42)58-48(40)44;1-27(2)31-15-17-45-41(21-31)43-25-37(29(5)6)23-39(47(43)53-45)33-11-9-13-35(19-33)49-51-52-50(55-49)36-14-10-12-34(20-36)40-24-38(30(7)8)26-44-42-22-32(28(3)4)16-18-46(42)54-48(40)44;1-5-27-15-17-41-37(19-27)39-23-29(7-3)21-35(43(39)49-41)31-11-9-13-33(25-31)45-47-48-46(51-45)34-14-10-12-32(26-34)36-22-30(8-4)24-40-38-20-28(6-2)16-18-42(38)50-44(36)40;1-23-9-3-17-31-33-19-7-15-29(37(33)43-35(23)31)25-11-5-13-27(21-25)39-41-42-40(45-39)28-14-6-12-26(22-28)30-16-8-20-34-32-18-4-10-24(2)36(32)44-38(30)34/h13-30H,1-12H3;9-30H,1-8H3;9-26H,5-8H2,1-4H3;3-22H,1-2H3
InChIKeyQZBKIEVEEHYBMT-UHFFFAOYSA-N
MW2751.45 g/mol
LogP54.70
Rot. Bonds24

About 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole

2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 160559041) has the molecular formula C190H164N8O12 and a molecular weight of 2751.45 g/mol. Its IUPAC name is 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
PubChem CID160559041
Molecular FormulaC190H164N8O12
Molecular Weight2751.45 g/mol
Exact Mass2749.25
IUPAC Name2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(C(C)(C)C)cc8c7oc7ccc(C(C)(C)C)cc78)c6)o5)c4)cc(C(C)(C)C)cc3c2c1.CC(C)c1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(C(C)C)cc8c7oc7ccc(C(C)C)cc78)c6)o5)c4)cc(C(C)C)cc3c2c1.CCc1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(CC)cc8c7oc7ccc(CC)cc78)c6)o5)c4)cc(CC)cc3c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4nnc(-c5cccc(-c6cccc7c6oc6c(C)cccc67)c5)o4)c3)cccc12
InChIInChI=1S/C54H54N2O3.C50H46N2O3.C46H38N2O3.C40H26N2O3/c1-51(2,3)35-19-21-45-41(25-35)43-29-37(53(7,8)9)27-39(47(43)57-45)31-15-13-17-33(23-31)49-55-56-50(59-49)34-18-14-16-32(24-34)40-28-38(54(10,11)12)30-44-42-26-36(52(4,5)6)20-22-46(42)58-48(40)44;1-27(2)31-15-17-45-41(21-31)43-25-37(29(5)6)23-39(47(43)53-45)33-11-9-13-35(19-33)49-51-52-50(55-49)36-14-10-12-34(20-36)40-24-38(30(7)8)26-44-42-22-32(28(3)4)16-18-46(42)54-48(40)44;1-5-27-15-17-41-37(19-27)39-23-29(7-3)21-35(43(39)49-41)31-11-9-13-33(25-31)45-47-48-46(51-45)34-14-10-12-32(26-34)36-22-30(8-4)24-40-38-20-28(6-2)16-18-42(38)50-44(36)40;1-23-9-3-17-31-33-19-7-15-29(37(33)43-35(23)31)25-11-5-13-27(21-25)39-41-42-40(45-39)28-14-6-12-26(22-28)30-16-8-20-34-32-18-4-10-24(2)36(32)44-38(30)34/h13-30H,1-12H3;9-30H,1-8H3;9-26H,5-8H2,1-4H3;3-22H,1-2H3
InChIKeyQZBKIEVEEHYBMT-UHFFFAOYSA-N
XLogP54.70
TPSA260.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002751.45
LogP ≤ 554.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-[4-(2,8-dibutyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-diethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,8-dipropyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline;3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 157129360
2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 70332227
2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161396078
2-[4-[2-[2-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dibutylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-di(propan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 161304769
2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158447388
2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran
CID 165014569
methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran;7-phenyl-2-propan-2-yldibenzofuran
CID 164972910
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159346875
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
2,5-bis(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2,5-bis(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2,5-bis(7'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)-1,3,4-oxadiazole;2,5-bis[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 158717198

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole (CID 160559041) is 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole is CC(C)(C)c1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(C(C)(C)C)cc8c7oc7ccc(C(C)(C)C)cc78)c6)o5)c4)cc(C(C)(C)C)cc3c2c1.CC(C)c1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(C(C)C)cc8c7oc7ccc(C(C)C)cc78)c6)o5)c4)cc(C(C)C)cc3c2c1.CCc1ccc2oc3c(-c4cccc(-c5nnc(-c6cccc(-c7cc(CC)cc8c7oc7ccc(CC)cc78)c6)o5)c4)cc(CC)cc3c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4nnc(-c5cccc(-c6cccc7c6oc6c(C)cccc67)c5)o4)c3)cccc12.
What is the InChIKey of 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is QZBKIEVEEHYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54N2O3.C50H46N2O3.C46H38N2O3.C40H26N2O3/c1-51(2,3)35-19-21-45-41(25-35)43-29-37(53(7,8)9)27-39(47(43)57-45)31-15-13-17-33(23-31)49-55-56-50(59-49)34-18-14-16-32(24-34)40-28-38(54(10,11)12)30-44-42-26-36(52(4,5)6)20-22-46(42)58-48(40)44;1-27(2)31-15-17-45-41(21-31)43-25-37(29(5)6)23-39(47(43)53-45)33-11-9-13-35(19-33)49-51-52-50(55-49)36-14-10-12-34(20-36)40-24-38(30(7)8)26-44-42-22-32(28(3)4)16-18-46(42)54-48(40)44;1-5-27-15-17-41-37(19-27)39-23-29(7-3)21-35(43(39)49-41)31-11-9-13-33(25-31)45-47-48-46(51-45)34-14-10-12-32(26-34)36-22-30(8-4)24-40-38-20-28(6-2)16-18-42(38)50-44(36)40;1-23-9-3-17-31-33-19-7-15-29(37(33)43-35(23)31)25-11-5-13-27(21-25)39-41-42-40(45-39)28-14-6-12-26(22-28)30-16-8-20-34-32-18-4-10-24(2)36(32)44-38(30)34/h13-30H,1-12H3;9-30H,1-8H3;9-26H,5-8H2,1-4H3;3-22H,1-2H3.
What are the key properties of 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole?
2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 2751.45 g/mol, XLogP of 54.70, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-(2,8-diethyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole;2,5-bis[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1,3,4-oxadiazole;2,5-bis[3-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 160559041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).