phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone

C27H24O — CID 125035581

IUPACphenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone
SMILESO=C(c1ccccc1)C12C3[C@@H]4[C@@H]5C6C7C8[C@@H]5[C@@H]3[C@H]3C1[C@H]1[C@@H](C7[C@@H]5[C@@H]6[C@@H]4C2[C@@H]51)[C@H]83
InChIInChI=1S/C27H24O/c28-26(6-4-2-1-3-5-6)27-23-17-11-8-7-9-13(11)19(23)21-15(9)16-10(7)14-12(8)18(17)24(27)20(14)22(16)25(21)27/h1-5,7-25H/t7?,8?,9?,10?,11-,12-,13-,14+,15+,16+,17-,18+,19-,20+,21-,22-,23?,24?,25?,27?/m0/s1
InChIKeyQJYIOJPJBXQJIW-MRIUQSDVSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds2

About phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone

phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone (PubChem CID 125035581) has the molecular formula C27H24O and a molecular weight of 364.49 g/mol. Its IUPAC name is phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone.

Molecular Properties

Compound Namephenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone
PubChem CID125035581
Molecular FormulaC27H24O
Molecular Weight364.49 g/mol
Exact Mass364.18
IUPAC Namephenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone
SMILESO=C(c1ccccc1)C12C3[C@@H]4[C@@H]5C6C7C8[C@@H]5[C@@H]3[C@H]3C1[C@H]1[C@@H](C7[C@@H]5[C@@H]6[C@@H]4C2[C@@H]51)[C@H]83
InChIInChI=1S/C27H24O/c28-26(6-4-2-1-3-5-6)27-23-17-11-8-7-9-13(11)19(23)21-15(9)16-10(7)14-12(8)18(17)24(27)20(14)22(16)25(21)27/h1-5,7-25H/t7?,8?,9?,10?,11-,12-,13-,14+,15+,16+,17-,18+,19-,20+,21-,22-,23?,24?,25?,27?/m0/s1
InChIKeyQJYIOJPJBXQJIW-MRIUQSDVSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone with MolForge

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Related Compounds

phenyl-[(3R,4R,5R,7S,8S,9S,10R,12R,13R,14S,18R,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone
CID 125035583
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CID 18983537
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
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CID 141353402
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CID 22848822
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1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone?
The IUPAC name of phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone (CID 125035581) is phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone.
What is the SMILES notation for phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone?
The canonical SMILES for phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone is O=C(c1ccccc1)C12C3[C@@H]4[C@@H]5C6C7C8[C@@H]5[C@@H]3[C@H]3C1[C@H]1[C@@H](C7[C@@H]5[C@@H]6[C@@H]4C2[C@@H]51)[C@H]83.
What is the InChIKey of phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone?
The InChIKey is QJYIOJPJBXQJIW-MRIUQSDVSA-N. The full InChI is InChI=1S/C27H24O/c28-26(6-4-2-1-3-5-6)27-23-17-11-8-7-9-13(11)19(23)21-15(9)16-10(7)14-12(8)18(17)24(27)20(14)22(16)25(21)27/h1-5,7-25H/t7?,8?,9?,10?,11-,12-,13-,14+,15+,16+,17-,18+,19-,20+,21-,22-,23?,24?,25?,27?/m0/s1.
What are the key properties of phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone?
phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone is sourced from PubChem (CID 125035581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).