5-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzene-1,3-dicarboxylic acid

5-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzene-1,3-dicarboxylic acid

Formula: C26H17NO6

SMILES: OC(=O)C1=CC(=CC(=C1)N1C(=O)C2C(C3C4=CC=CC=C4C2C2=C3C=CC=C2)C1=O)C(O)=O

IUPAC: 5-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzene-1,3-dicarboxylic acid

InChI: InChI=1/C26H17NO6/c28-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(29)27(23)14-10-12(25(30)31)9-13(11-14)26(32)33/h1-11,19-22H,(H,30,31)(H,32,33)

Composition: C (71.07%), H (3.90%), N (3.19%), O (21.85%)

Molar Mass: 439.423

Atom Count: 50

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	439.105587271
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	HYVXIFPZMWXDDT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.18
Topological Polar Surface Area	111.98
Polarizability	44.32
Ring Count	6
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H17NO6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00