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5-benzoyl-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

5-benzoyl-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C26H22N2O2

SMILES: O=C(C1=CC=CC=C1)C1=CC=C2NC(C3=CC=CC=C3)C3=C(CCCC3=O)NC2=C1

IUPAC: 5-benzoyl-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C26H22N2O2/c29-23-13-7-12-21-24(23)25(17-8-3-1-4-9-17)28-20-15-14-19(16-22(20)27-21)26(30)18-10-5-2-6-11-18/h1-6,8-11,14-16,25,27-28H,7,12-13H2

Composition: C (79.17%), H (5.62%), N (7.10%), O (8.11%)

Molar Mass: 394.474

Atom Count: 52

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 394.168127956
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ICXNYSWSOPJYPJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.3
Topological Polar Surface Area 58.2
Polarizability 45.13
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H22N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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