15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one

C25H18O — CID 592605

IUPAC15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one
SMILESO=C1C(c2ccccc2)=CC2C=CC1C1c3cccc4cccc(c34)C21
InChIInChI=1S/C25H18O/c26-25-20-13-12-17(14-21(25)15-6-2-1-3-7-15)23-18-10-4-8-16-9-5-11-19(22(16)18)24(20)23/h1-14,17,20,23-24H
InChIKeyDDGNOCHGUIKJDW-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.49
Rot. Bonds1

About 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one

15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one (PubChem CID 592605) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one.

Molecular Properties

Compound Name15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one
PubChem CID592605
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one
SMILESO=C1C(c2ccccc2)=CC2C=CC1C1c3cccc4cccc(c34)C21
InChIInChI=1S/C25H18O/c26-25-20-13-12-17(14-21(25)15-6-2-1-3-7-15)23-18-10-4-8-16-9-5-11-19(22(16)18)24(20)23/h1-14,17,20,23-24H
InChIKeyDDGNOCHGUIKJDW-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,12R,13R)-pentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one
CID 101224719
(10R,11S,14R,15S)-11,14-dimethyl-12,13-diphenylpentacyclo[7.6.1.111,14.05,16.010,15]heptadeca-1,3,5(16),6,8,12-hexaen-17-one
CID 92835890
3-methyltetracyclo[7.3.1.02,4.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 86129150
(1S,2S,12S,13S)-17-bromohexacyclo[11.6.2.13,7.01,16.02,12.011,22]docosa-3,5,7(22),8,10,15,17,20-octaene-14,19-dione
CID 10810347
2-amino-2H-acenaphthylen-1-one
CID 603051
8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one
CID 71551083
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
CID 35581029
4,5-bis(hydroxymethyl)-2-phenylcyclopent-2-en-1-one
CID 100924905
2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
CID 13067294
8b,12a-dihydrobenzo[e]pyrene
CID 168838340
3-[3-[4-(4a,10a-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene
CID 143808820
2-[3-(2-carboxyphenyl)-1H-phenalen-1-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one?
The IUPAC name of 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one (CID 592605) is 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one.
What is the SMILES notation for 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one?
The canonical SMILES for 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one is O=C1C(c2ccccc2)=CC2C=CC1C1c3cccc4cccc(c34)C21.
What is the InChIKey of 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one?
The InChIKey is DDGNOCHGUIKJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O/c26-25-20-13-12-17(14-21(25)15-6-2-1-3-7-15)23-18-10-4-8-16-9-5-11-19(22(16)18)24(20)23/h1-14,17,20,23-24H.
What are the key properties of 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one?
15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one has a molecular weight of 334.42 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenylpentacyclo[11.3.2.13,7.02,12.011,19]nonadeca-3,5,7(19),8,10,15,17-heptaen-14-one is sourced from PubChem (CID 592605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).