14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

C28H16N2O3 — CID 2328414

IUPAC14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESO=C(c1ccccc1)c1ccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C28H16N2O3/c31-26(17-7-2-1-3-8-17)18-13-15-19(16-14-18)28(33)30-23-12-6-11-22-24(23)25(29-30)20-9-4-5-10-21(20)27(22)32/h1-16H
InChIKeyANCLAVRMFSJCDX-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.17
Rot. Bonds3

About 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (PubChem CID 2328414) has the molecular formula C28H16N2O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
PubChem CID2328414
Molecular FormulaC28H16N2O3
Molecular Weight428.45 g/mol
Exact Mass428.12
IUPAC Name14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESO=C(c1ccccc1)c1ccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C28H16N2O3/c31-26(17-7-2-1-3-8-17)18-13-15-19(16-14-18)28(33)30-23-12-6-11-22-24(23)25(29-30)20-9-4-5-10-21(20)27(22)32/h1-16H
InChIKeyANCLAVRMFSJCDX-UHFFFAOYSA-N
XLogP5.17
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one with MolForge

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Related Compounds

14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 2133732
14-butanoyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 4108787
4-[(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)sulfonyl]benzoic acid
CID 7730438
14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 2314237
2-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-14-carbonyl)-3-phenylprop-2-enenitrile
CID 5062757
methyl 4-[2-hydroxy-3-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)propoxy]benzoate
CID 46596137
14-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 52841319
diphenylmethanone
CID 3102
3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one
CID 15507410
2-benzoylphenaleno[2,3-b]pyridin-7-one
CID 154370739
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838

Frequently Asked Questions

What is the IUPAC name of 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The IUPAC name of 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (CID 2328414) is 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The canonical SMILES for 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is O=C(c1ccccc1)c1ccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1.
What is the InChIKey of 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The InChIKey is ANCLAVRMFSJCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O3/c31-26(17-7-2-1-3-8-17)18-13-15-19(16-14-18)28(33)30-23-12-6-11-22-24(23)25(29-30)20-9-4-5-10-21(20)27(22)32/h1-16H.
What are the key properties of 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one has a molecular weight of 428.45 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-benzoylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 2328414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).