2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole

C158H96N12O4 — CID 159048422

IUPAC2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11nnc(-c%12ccccc%12)o%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7cc(-c9nnc(-c%10ccccc%10)o9)ccc7-8)cc6)cc5)ccc3-4)o2)cc1
InChIInChI=1S/C86H50N6O2.C72H46N6O2/c1-3-17-55(18-4-1)81-89-91-83(93-81)59-41-45-67-65-43-39-57(47-73(65)85(75(67)49-59)69-25-11-7-21-61(69)62-22-8-12-26-70(62)85)51-31-35-53(36-32-51)79-80(88-78-30-16-15-29-77(78)87-79)54-37-33-52(34-38-54)58-40-44-66-68-46-42-60(84-92-90-82(94-84)56-19-5-2-6-20-56)50-76(68)86(74(66)48-58)71-27-13-9-23-63(71)64-24-10-14-28-72(64)86;1-3-9-61(10-4-1)69-75-77-71(79-69)63-43-35-57(36-44-63)53-27-19-49(20-28-53)47-15-23-51(24-16-47)55-31-39-59(40-32-55)67-68(74-66-14-8-7-13-65(66)73-67)60-41-33-56(34-42-60)52-25-17-48(18-26-52)50-21-29-54(30-22-50)58-37-45-64(46-38-58)72-78-76-70(80-72)62-11-5-2-6-12-62/h1-50H;1-46H
InChIKeyJWYJEESOGHXNNR-UHFFFAOYSA-N
MW2226.59 g/mol
LogP38.82
Rot. Bonds20

About 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole

2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole (PubChem CID 159048422) has the molecular formula C158H96N12O4 and a molecular weight of 2226.59 g/mol. Its IUPAC name is 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
PubChem CID159048422
Molecular FormulaC158H96N12O4
Molecular Weight2226.59 g/mol
Exact Mass2224.77
IUPAC Name2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11nnc(-c%12ccccc%12)o%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7cc(-c9nnc(-c%10ccccc%10)o9)ccc7-8)cc6)cc5)ccc3-4)o2)cc1
InChIInChI=1S/C86H50N6O2.C72H46N6O2/c1-3-17-55(18-4-1)81-89-91-83(93-81)59-41-45-67-65-43-39-57(47-73(65)85(75(67)49-59)69-25-11-7-21-61(69)62-22-8-12-26-70(62)85)51-31-35-53(36-32-51)79-80(88-78-30-16-15-29-77(78)87-79)54-37-33-52(34-38-54)58-40-44-66-68-46-42-60(84-92-90-82(94-84)56-19-5-2-6-20-56)50-76(68)86(74(66)48-58)71-27-13-9-23-63(71)64-24-10-14-28-72(64)86;1-3-9-61(10-4-1)69-75-77-71(79-69)63-43-35-57(36-44-63)53-27-19-49(20-28-53)47-15-23-51(24-16-47)55-31-39-59(40-32-55)67-68(74-66-14-8-7-13-65(66)73-67)60-41-33-56(34-42-60)52-25-17-48(18-26-52)50-21-29-54(30-22-50)58-37-45-64(46-38-58)72-78-76-70(80-72)62-11-5-2-6-12-62/h1-50H;1-46H
InChIKeyJWYJEESOGHXNNR-UHFFFAOYSA-N
XLogP38.82
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.59
LogP ≤ 538.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

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
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 166008017
2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(3-phenylphenyl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(9,9'-spirobi[fluorene]-2-yl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 158826530
2-(7'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2'-yl)-5-phenyl-1,3,4-oxadiazole
CID 70332039
21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 161141142
2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole
CID 58979961
2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole
CID 140947158
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 89177103
2-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-(3-phenylphenyl)quinoxaline
CID 171051318

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole (CID 159048422) is 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11nnc(-c%12ccccc%12)o%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7cc(-c9nnc(-c%10ccccc%10)o9)ccc7-8)cc6)cc5)ccc3-4)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
The InChIKey is JWYJEESOGHXNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50N6O2.C72H46N6O2/c1-3-17-55(18-4-1)81-89-91-83(93-81)59-41-45-67-65-43-39-57(47-73(65)85(75(67)49-59)69-25-11-7-21-61(69)62-22-8-12-26-70(62)85)51-31-35-53(36-32-51)79-80(88-78-30-16-15-29-77(78)87-79)54-37-33-52(34-38-54)58-40-44-66-68-46-42-60(84-92-90-82(94-84)56-19-5-2-6-20-56)50-76(68)86(74(66)48-58)71-27-13-9-23-63(71)64-24-10-14-28-72(64)86;1-3-9-61(10-4-1)69-75-77-71(79-69)63-43-35-57(36-44-63)53-27-19-49(20-28-53)47-15-23-51(24-16-47)55-31-39-59(40-32-55)67-68(74-66-14-8-7-13-65(66)73-67)60-41-33-56(34-42-60)52-25-17-48(18-26-52)50-21-29-54(30-22-50)58-37-45-64(46-38-58)72-78-76-70(80-72)62-11-5-2-6-12-62/h1-50H;1-46H.
What are the key properties of 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole has a molecular weight of 2226.59 g/mol, XLogP of 38.82, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 159048422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).