phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone

C20H12N4O — CID 14572739

IUPACphenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone
SMILESO=C(c1ccccc1)c1ccn2c(c1)nc1nc3ccccc3nc12
InChIInChI=1S/C20H12N4O/c25-18(13-6-2-1-3-7-13)14-10-11-24-17(12-14)23-19-20(24)22-16-9-5-4-8-15(16)21-19/h1-12H
InChIKeyVCPWSVNFRXVGAG-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.66
Rot. Bonds2

About phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone

phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone (PubChem CID 14572739) has the molecular formula C20H12N4O and a molecular weight of 324.34 g/mol. Its IUPAC name is phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone.

Molecular Properties

Compound Namephenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone
PubChem CID14572739
Molecular FormulaC20H12N4O
Molecular Weight324.34 g/mol
Exact Mass324.10
IUPAC Namephenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone
SMILESO=C(c1ccccc1)c1ccn2c(c1)nc1nc3ccccc3nc12
InChIInChI=1S/C20H12N4O/c25-18(13-6-2-1-3-7-13)14-10-11-24-17(12-14)23-19-20(24)22-16-9-5-4-8-15(16)21-19/h1-12H
InChIKeyVCPWSVNFRXVGAG-UHFFFAOYSA-N
XLogP3.66
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone with MolForge

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Related Compounds

5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 23257799
diphenylmethanone
CID 3102
anthracene;diphenylmethanone
CID 87408663
(2,3-dipyridin-2-ylquinoxalin-6-yl)-phenylmethanone
CID 54672430
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 134119925
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
14-tert-butyl-5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 23257800
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865

Frequently Asked Questions

What is the IUPAC name of phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone?
The IUPAC name of phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone (CID 14572739) is phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone.
What is the SMILES notation for phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone?
The canonical SMILES for phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone is O=C(c1ccccc1)c1ccn2c(c1)nc1nc3ccccc3nc12.
What is the InChIKey of phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone?
The InChIKey is VCPWSVNFRXVGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O/c25-18(13-6-2-1-3-7-13)14-10-11-24-17(12-14)23-19-20(24)22-16-9-5-4-8-15(16)21-19/h1-12H.
What are the key properties of phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone?
phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone has a molecular weight of 324.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-14-yl)methanone is sourced from PubChem (CID 14572739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).