1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione

C33H30O2 — CID 139053997

IUPAC1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2)c1ccccc1
InChIInChI=1S/C33H30O2/c34-32(28-7-3-1-4-8-28)22-30(23-33(35)29-9-5-2-6-10-29)31-21-26-16-15-24-11-13-25(14-12-24)17-19-27(31)20-18-26/h1-14,18,20-21,30H,15-17,19,22-23H2
InChIKeyWGOWESJEQSHWFM-UHFFFAOYSA-N
MW458.60 g/mol
LogP7.20
Rot. Bonds7

About 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione

1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione (PubChem CID 139053997) has the molecular formula C33H30O2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione
PubChem CID139053997
Molecular FormulaC33H30O2
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC Name1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2)c1ccccc1
InChIInChI=1S/C33H30O2/c34-32(28-7-3-1-4-8-28)22-30(23-33(35)29-9-5-2-6-10-29)31-21-26-16-15-24-11-13-25(14-12-24)17-19-27(31)20-18-26/h1-14,18,20-21,30H,15-17,19,22-23H2
InChIKeyWGOWESJEQSHWFM-UHFFFAOYSA-N
XLogP7.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione with MolForge

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Related Compounds

1-(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-3-phenylpropane-1,3-dione
CID 6422005
(1S,2S)-N,N'-diphenyl-1,2-bis(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethane-1,2-diamine
CID 101190100
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3R)-1,3-diphenylpentan-1-one
CID 11042799
N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
CID 10572045
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
tris(carboxymethyl)-phenacylphosphanium
CID 139734729
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
(1R,2R)-N,N'-bis(2,6-dimethylphenyl)-1,2-bis(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethane-1,2-diamine
CID 101190103
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid
CID 71676843
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione?
The IUPAC name of 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione (CID 139053997) is 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione.
What is the SMILES notation for 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione?
The canonical SMILES for 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione is O=C(CC(CC(=O)c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2)c1ccccc1.
What is the InChIKey of 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione?
The InChIKey is WGOWESJEQSHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O2/c34-32(28-7-3-1-4-8-28)22-30(23-33(35)29-9-5-2-6-10-29)31-21-26-16-15-24-11-13-25(14-12-24)17-19-27(31)20-18-26/h1-14,18,20-21,30H,15-17,19,22-23H2.
What are the key properties of 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione?
1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione has a molecular weight of 458.60 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pentane-1,5-dione is sourced from PubChem (CID 139053997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).