phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone

C30H24O — CID 23270729

IUPACphenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1C(c2ccccc2)=C[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C30H24O/c31-30(25-19-11-4-12-20-25)29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(29)24-17-9-3-10-18-24/h1-21,26,28-29H/t26-,28+,29-/m1/s1
InChIKeyGYVYYONIWHTFSF-XNFLFYSQSA-N
MW400.52 g/mol
LogP7.15
Rot. Bonds5

About phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone

phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone (PubChem CID 23270729) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone
PubChem CID23270729
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Namephenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1C(c2ccccc2)=C[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C30H24O/c31-30(25-19-11-4-12-20-25)29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(29)24-17-9-3-10-18-24/h1-21,26,28-29H/t26-,28+,29-/m1/s1
InChIKeyGYVYYONIWHTFSF-XNFLFYSQSA-N
XLogP7.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
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[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
CID 11156987
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
(1S,4S,5S,8S)-2,4,6,8-tetraphenylbicyclo[3.3.1]nona-2,6-diene
CID 11122751
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595

Frequently Asked Questions

What is the IUPAC name of phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone?
The IUPAC name of phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone (CID 23270729) is phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone.
What is the SMILES notation for phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone?
The canonical SMILES for phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone is O=C(c1ccccc1)[C@@H]1C(c2ccccc2)=C[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone?
The InChIKey is GYVYYONIWHTFSF-XNFLFYSQSA-N. The full InChI is InChI=1S/C30H24O/c31-30(25-19-11-4-12-20-25)29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(29)24-17-9-3-10-18-24/h1-21,26,28-29H/t26-,28+,29-/m1/s1.
What are the key properties of phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone?
phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone has a molecular weight of 400.52 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone is sourced from PubChem (CID 23270729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).