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17-(2,4-dimethylphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

17-(2,4-dimethylphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C26H21NO2

SMILES: CC1=CC=C(N2C(=O)C3C(C4C5=C(C=CC=C5)C3C3=C4C=CC=C3)C2=O)C(C)=C1

IUPAC: 17-(2,4-dimethylphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C26H21NO2/c1-14-11-12-20(15(2)13-14)27-25(28)23-21-16-7-3-4-8-17(16)22(24(23)26(27)29)19-10-6-5-9-18(19)21/h3-13,21-24H,1-2H3

Composition: C (82.30%), H (5.58%), N (3.69%), O (8.43%)

Molar Mass: 379.459

Atom Count: 50

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 379.15722892
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VYCYPXQWSXYAHH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 112.75
Topological Polar Surface Area 37.38
Polarizability 43.18
Ring Count 6
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H21NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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