(7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone

C26H16N2O2 — CID 175025470

IUPAC(7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccnc2c1ccc1c(C(=O)c3ccccc3)ccnc12
InChIInChI=1S/C26H16N2O2/c29-25(17-7-3-1-4-8-17)21-13-15-27-23-19(21)11-12-20-22(14-16-28-24(20)23)26(30)18-9-5-2-6-10-18/h1-16H
InChIKeyGXOJZJPHICADTL-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.24
Rot. Bonds4

About (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone

(7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone (PubChem CID 175025470) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone
PubChem CID175025470
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name(7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccnc2c1ccc1c(C(=O)c3ccccc3)ccnc12
InChIInChI=1S/C26H16N2O2/c29-25(17-7-3-1-4-8-17)21-13-15-27-23-19(21)11-12-20-22(14-16-28-24(20)23)26(30)18-9-5-2-6-10-18/h1-16H
InChIKeyGXOJZJPHICADTL-UHFFFAOYSA-N
XLogP5.24
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(8-amino-7-benzoylquinolin-4-yl) thiohypoiodite
CID 155077115
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
diphenylmethanone
CID 3102
phenyl-(2-silylphenyl)methanone
CID 137327642
(3-bromo-4-pyridinyl)-phenylmethanone
CID 102419732
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
(4-bromo-2-chloro-3-pyridinyl)-phenylmethanone
CID 102368897
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958

Frequently Asked Questions

What is the IUPAC name of (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone?
The IUPAC name of (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone (CID 175025470) is (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone.
What is the SMILES notation for (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone?
The canonical SMILES for (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone is O=C(c1ccccc1)c1ccnc2c1ccc1c(C(=O)c3ccccc3)ccnc12.
What is the InChIKey of (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone?
The InChIKey is GXOJZJPHICADTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2/c29-25(17-7-3-1-4-8-17)21-13-15-27-23-19(21)11-12-20-22(14-16-28-24(20)23)26(30)18-9-5-2-6-10-18/h1-16H.
What are the key properties of (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone?
(7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone has a molecular weight of 388.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone is sourced from PubChem (CID 175025470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).