2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole

C56H32N8O4 — CID 59855596

IUPAC2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc4c(cc3-c3nnc(-c5ccccc5)o3)-c3ccccc3-c3cc(-c5nnc(-c6ccccc6)o5)c(-c5nnc(-c6ccccc6)o5)cc3-c3ccccc3-4)o2)cc1
InChIInChI=1S/C56H32N8O4/c1-5-17-33(18-6-1)49-57-61-53(65-49)45-29-41-37-25-13-14-26-38(37)43-31-47(55-63-59-51(67-55)35-21-9-3-10-22-35)48(56-64-60-52(68-56)36-23-11-4-12-24-36)32-44(43)40-28-16-15-27-39(40)42(41)30-46(45)54-62-58-50(66-54)34-19-7-2-8-20-34/h1-32H/b41-37-,42-39-,43-38-,44-40-
InChIKeyZTBHVRQTCIAYFH-LTFNIRRTSA-N
MW880.92 g/mol
LogP13.54
Rot. Bonds8

About 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole

2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole (PubChem CID 59855596) has the molecular formula C56H32N8O4 and a molecular weight of 880.92 g/mol. Its IUPAC name is 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
PubChem CID59855596
Molecular FormulaC56H32N8O4
Molecular Weight880.92 g/mol
Exact Mass880.25
IUPAC Name2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc4c(cc3-c3nnc(-c5ccccc5)o3)-c3ccccc3-c3cc(-c5nnc(-c6ccccc6)o5)c(-c5nnc(-c6ccccc6)o5)cc3-c3ccccc3-4)o2)cc1
InChIInChI=1S/C56H32N8O4/c1-5-17-33(18-6-1)49-57-61-53(65-49)45-29-41-37-25-13-14-26-38(37)43-31-47(55-63-59-51(67-55)35-21-9-3-10-22-35)48(56-64-60-52(68-56)36-23-11-4-12-24-36)32-44(43)40-28-16-15-27-39(40)42(41)30-46(45)54-62-58-50(66-54)34-19-7-2-8-20-34/h1-32H/b41-37-,42-39-,43-38-,44-40-
InChIKeyZTBHVRQTCIAYFH-LTFNIRRTSA-N
XLogP13.54
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.92
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole (CID 59855596) is 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cc4c(cc3-c3nnc(-c5ccccc5)o3)-c3ccccc3-c3cc(-c5nnc(-c6ccccc6)o5)c(-c5nnc(-c6ccccc6)o5)cc3-c3ccccc3-4)o2)cc1.
What is the InChIKey of 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole?
The InChIKey is ZTBHVRQTCIAYFH-LTFNIRRTSA-N. The full InChI is InChI=1S/C56H32N8O4/c1-5-17-33(18-6-1)49-57-61-53(65-49)45-29-41-37-25-13-14-26-38(37)43-31-47(55-63-59-51(67-55)35-21-9-3-10-22-35)48(56-64-60-52(68-56)36-23-11-4-12-24-36)32-44(43)40-28-16-15-27-39(40)42(41)30-46(45)54-62-58-50(66-54)34-19-7-2-8-20-34/h1-32H/b41-37-,42-39-,43-38-,44-40-.
What are the key properties of 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole?
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole has a molecular weight of 880.92 g/mol, XLogP of 13.54, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 59855596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).