2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole

C81H47N7O3 — CID 146343304

IUPAC2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5nnc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccc(-c8nnc(-c9ccccc9)o8)cc76)o5)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C81H47N7O3/c1-3-18-49(19-4-1)73-82-74(84-75(83-73)54-38-41-61-59-26-9-13-30-65(59)80(68(61)45-54)63-28-11-7-24-57(63)58-25-8-12-29-64(58)80)53-23-17-22-52(44-53)48-34-36-51(37-35-48)77-86-88-79(91-77)56-40-43-72-70(47-56)81(67-32-15-16-33-71(67)89-72)66-31-14-10-27-60(66)62-42-39-55(46-69(62)81)78-87-85-76(90-78)50-20-5-2-6-21-50/h1-47H
InChIKeyZBIDNNGVUHXIGM-UHFFFAOYSA-N
MW1166.31 g/mol
LogP18.79
Rot. Bonds8

About 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole

2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole (PubChem CID 146343304) has the molecular formula C81H47N7O3 and a molecular weight of 1166.31 g/mol. Its IUPAC name is 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole
PubChem CID146343304
Molecular FormulaC81H47N7O3
Molecular Weight1166.31 g/mol
Exact Mass1165.37
IUPAC Name2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5nnc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccc(-c8nnc(-c9ccccc9)o8)cc76)o5)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C81H47N7O3/c1-3-18-49(19-4-1)73-82-74(84-75(83-73)54-38-41-61-59-26-9-13-30-65(59)80(68(61)45-54)63-28-11-7-24-57(63)58-25-8-12-29-64(58)80)53-23-17-22-52(44-53)48-34-36-51(37-35-48)77-86-88-79(91-77)56-40-43-72-70(47-56)81(67-32-15-16-33-71(67)89-72)66-31-14-10-27-60(66)62-42-39-55(46-69(62)81)78-87-85-76(90-78)50-20-5-2-6-21-50/h1-47H
InChIKeyZBIDNNGVUHXIGM-UHFFFAOYSA-N
XLogP18.79
TPSA125.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.31
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole (CID 146343304) is 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nnc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccc(-c8nnc(-c9ccccc9)o8)cc76)o5)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole?
The InChIKey is ZBIDNNGVUHXIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H47N7O3/c1-3-18-49(19-4-1)73-82-74(84-75(83-73)54-38-41-61-59-26-9-13-30-65(59)80(68(61)45-54)63-28-11-7-24-57(63)58-25-8-12-29-64(58)80)53-23-17-22-52(44-53)48-34-36-51(37-35-48)77-86-88-79(91-77)56-40-43-72-70(47-56)81(67-32-15-16-33-71(67)89-72)66-31-14-10-27-60(66)62-42-39-55(46-69(62)81)78-87-85-76(90-78)50-20-5-2-6-21-50/h1-47H.
What are the key properties of 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole?
2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole has a molecular weight of 1166.31 g/mol, XLogP of 18.79, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[2'-[5-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 146343304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).