8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C58H60N6O2S — CID 123767426

IUPAC8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCC1c3ccccc3Sc3cc(-c4cccc(N5CNC(=O)C56CCN(CCCC5c7ccccc7-c7ccccc75)CC6)c4)ccc31)CC2
InChIInChI=1S/C58H60N6O2S/c65-55-57(63(39-59-55)43-14-2-1-3-15-43)27-33-62(34-28-57)32-12-23-50-51-21-8-9-24-53(51)67-54-38-42(25-26-52(50)54)41-13-10-16-44(37-41)64-40-60-56(66)58(64)29-35-61(36-30-58)31-11-22-49-47-19-6-4-17-45(47)46-18-5-7-20-48(46)49/h1-10,13-21,24-26,37-38,49-50H,11-12,22-23,27-36,39-40H2,(H,59,65)(H,60,66)
InChIKeyXHPDBSFLTYBUAS-UHFFFAOYSA-N
MW905.23 g/mol
LogP10.48
Rot. Bonds11

About 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 123767426) has the molecular formula C58H60N6O2S and a molecular weight of 905.23 g/mol. Its IUPAC name is 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID123767426
Molecular FormulaC58H60N6O2S
Molecular Weight905.23 g/mol
Exact Mass904.45
IUPAC Name8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCC1c3ccccc3Sc3cc(-c4cccc(N5CNC(=O)C56CCN(CCCC5c7ccccc7-c7ccccc75)CC6)c4)ccc31)CC2
InChIInChI=1S/C58H60N6O2S/c65-55-57(63(39-59-55)43-14-2-1-3-15-43)27-33-62(34-28-57)32-12-23-50-51-21-8-9-24-53(51)67-54-38-42(25-26-52(50)54)41-13-10-16-44(37-41)64-40-60-56(66)58(64)29-35-61(36-30-58)31-11-22-49-47-19-6-4-17-45(47)46-18-5-7-20-48(46)49/h1-10,13-21,24-26,37-38,49-50H,11-12,22-23,27-36,39-40H2,(H,59,65)(H,60,66)
InChIKeyXHPDBSFLTYBUAS-UHFFFAOYSA-N
XLogP10.48
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.23
LogP ≤ 510.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 123767426) is 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(CCCC1c3ccccc3Sc3cc(-c4cccc(N5CNC(=O)C56CCN(CCCC5c7ccccc7-c7ccccc75)CC6)c4)ccc31)CC2.
What is the InChIKey of 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is XHPDBSFLTYBUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N6O2S/c65-55-57(63(39-59-55)43-14-2-1-3-15-43)27-33-62(34-28-57)32-12-23-50-51-21-8-9-24-53(51)67-54-38-42(25-26-52(50)54)41-13-10-16-44(37-41)64-40-60-56(66)58(64)29-35-61(36-30-58)31-11-22-49-47-19-6-4-17-45(47)46-18-5-7-20-48(46)49/h1-10,13-21,24-26,37-38,49-50H,11-12,22-23,27-36,39-40H2,(H,59,65)(H,60,66).
What are the key properties of 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 905.23 g/mol, XLogP of 10.48, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[3-[8-[3-(9H-fluoren-9-yl)propyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]phenyl]-9H-thioxanthen-9-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 123767426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).