5-benzoyl-14,14-dimethyl-10-(3-nitrophenyl)-9-propanoyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

5-benzoyl-14,14-dimethyl-10-(3-nitrophenyl)-9-propanoyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C31H29N3O5

SMILES: CCC(=O)N1C(C2=CC=CC(=C2)[N+]([O-])=O)C2=C(CC(C)(C)CC2=O)NC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1

IUPAC: 5-benzoyl-14,14-dimethyl-10-(3-nitrophenyl)-9-propanoyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C31H29N3O5/c1-4-27(36)33-25-14-13-21(30(37)19-9-6-5-7-10-19)16-23(25)32-24-17-31(2,3)18-26(35)28(24)29(33)20-11-8-12-22(15-20)34(38)39/h5-16,29,32H,4,17-18H2,1-3H3

Composition: C (71.11%), H (5.58%), N (8.03%), O (15.28%)

Molar Mass: 523.589

Atom Count: 68

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	523.210721046
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	FTHDOMMRUHVGAD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	150.06
Topological Polar Surface Area	109.62
Polarizability	56.23
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H29N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00