2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole

C195H126N16O4 — CID 158223952

IUPAC2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
SMILESCC1(C)c2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)ccc2-c2ccc(-c3nnc(-c4ccccc4)o3)cc21.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1
InChIInChI=1S/C53H32N4O.C53H34N4O.C46H30N4O.C43H30N4O/c1-3-13-34(14-4-1)49-50(55-48-22-12-11-21-47(48)54-49)35-25-23-33(24-26-35)37-27-29-41-42-30-28-38(52-57-56-51(58-52)36-15-5-2-6-16-36)32-46(42)53(45(41)31-37)43-19-9-7-17-39(43)40-18-8-10-20-44(40)53;1-5-15-36(16-6-1)49-50(55-48-24-14-13-23-47(48)54-49)37-27-25-35(26-28-37)39-29-31-43-44-32-30-40(52-57-56-51(58-52)38-17-7-2-8-18-38)34-46(44)53(45(43)33-39,41-19-9-3-10-20-41)42-21-11-4-12-22-42;1-3-9-37(10-4-1)43-44(48-42-14-8-7-13-41(42)47-43)38-27-23-35(24-28-38)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36-25-29-40(30-26-36)46-50-49-45(51-46)39-11-5-2-6-12-39;1-43(2)35-25-31(21-23-33(35)34-24-22-32(26-36(34)43)42-47-46-41(48-42)30-13-7-4-8-14-30)27-17-19-29(20-18-27)40-39(28-11-5-3-6-12-28)44-37-15-9-10-16-38(37)45-40/h1-32H;1-34H;1-30H;3-26H,1-2H3
InChIKeyGDOQEEZBYVXGJQ-UHFFFAOYSA-N
MW2757.26 g/mol
LogP47.74
Rot. Bonds24

About 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole

2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole (PubChem CID 158223952) has the molecular formula C195H126N16O4 and a molecular weight of 2757.26 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
PubChem CID158223952
Molecular FormulaC195H126N16O4
Molecular Weight2757.26 g/mol
Exact Mass2755.01
IUPAC Name2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
SMILESCC1(C)c2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)ccc2-c2ccc(-c3nnc(-c4ccccc4)o3)cc21.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1
InChIInChI=1S/C53H32N4O.C53H34N4O.C46H30N4O.C43H30N4O/c1-3-13-34(14-4-1)49-50(55-48-22-12-11-21-47(48)54-49)35-25-23-33(24-26-35)37-27-29-41-42-30-28-38(52-57-56-51(58-52)36-15-5-2-6-16-36)32-46(42)53(45(41)31-37)43-19-9-7-17-39(43)40-18-8-10-20-44(40)53;1-5-15-36(16-6-1)49-50(55-48-24-14-13-23-47(48)54-49)37-27-25-35(26-28-37)39-29-31-43-44-32-30-40(52-57-56-51(58-52)38-17-7-2-8-18-38)34-46(44)53(45(43)33-39,41-19-9-3-10-20-41)42-21-11-4-12-22-42;1-3-9-37(10-4-1)43-44(48-42-14-8-7-13-41(42)47-43)38-27-23-35(24-28-38)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36-25-29-40(30-26-36)46-50-49-45(51-46)39-11-5-2-6-12-39;1-43(2)35-25-31(21-23-33(35)34-24-22-32(26-36(34)43)42-47-46-41(48-42)30-13-7-4-8-14-30)27-17-19-29(20-18-27)40-39(28-11-5-3-6-12-28)44-37-15-9-10-16-38(37)45-40/h1-32H;1-34H;1-30H;3-26H,1-2H3
InChIKeyGDOQEEZBYVXGJQ-UHFFFAOYSA-N
XLogP47.74
TPSA258.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002757.26
LogP ≤ 547.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole (CID 158223952) is 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole is CC1(C)c2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)ccc2-c2ccc(-c3nnc(-c4ccccc4)o3)cc21.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1.
What is the InChIKey of 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
The InChIKey is GDOQEEZBYVXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.C53H34N4O.C46H30N4O.C43H30N4O/c1-3-13-34(14-4-1)49-50(55-48-22-12-11-21-47(48)54-49)35-25-23-33(24-26-35)37-27-29-41-42-30-28-38(52-57-56-51(58-52)36-15-5-2-6-16-36)32-46(42)53(45(41)31-37)43-19-9-7-17-39(43)40-18-8-10-20-44(40)53;1-5-15-36(16-6-1)49-50(55-48-24-14-13-23-47(48)54-49)37-27-25-35(26-28-37)39-29-31-43-44-32-30-40(52-57-56-51(58-52)38-17-7-2-8-18-38)34-46(44)53(45(43)33-39,41-19-9-3-10-20-41)42-21-11-4-12-22-42;1-3-9-37(10-4-1)43-44(48-42-14-8-7-13-41(42)47-43)38-27-23-35(24-28-38)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36-25-29-40(30-26-36)46-50-49-45(51-46)39-11-5-2-6-12-39;1-43(2)35-25-31(21-23-33(35)34-24-22-32(26-36(34)43)42-47-46-41(48-42)30-13-7-4-8-14-30)27-17-19-29(20-18-27)40-39(28-11-5-3-6-12-28)44-37-15-9-10-16-38(37)45-40/h1-32H;1-34H;1-30H;3-26H,1-2H3.
What are the key properties of 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole has a molecular weight of 2757.26 g/mol, XLogP of 47.74, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 158223952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).