4-(2-methyl-5-nitrophenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5,10-trione

4-(2-methyl-5-nitrophenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5,10-trione

Formula: C40H28N2O5

SMILES: CC1=CC=C(C=C1N1C(=O)C2C(C1=O)C1(C(=O)C2(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)[N+]([O-])=O

IUPAC: 4-(2-methyl-5-nitrophenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5,10-trione

InChI: InChI=1/C40H28N2O5/c1-25-22-23-30(42(46)47)24-31(25)41-36(43)34-35(37(41)44)40(29-20-12-5-13-21-29)33(27-16-8-3-9-17-27)32(26-14-6-2-7-15-26)39(34,38(40)45)28-18-10-4-11-19-28/h2-24,34-35H,1H3

Composition: C (77.91%), H (4.58%), N (4.54%), O (12.97%)

Molar Mass: 616.673

Atom Count: 75

Heavy Atom Count: 47

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	4
Exact Mass	616.19982201
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	BXNQDLCKVQPSKL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	177.32
Topological Polar Surface Area	97.59
Polarizability	67.8
Ring Count	8
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C40H28N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00