2-iodo-N-[8-(4-methylphenyl)-9,10,17-triazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-14-yl]benzamide

2-iodo-N-[8-(4-methylphenyl)-9,10,17-triazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-14-yl]benzamide

Formula: C28H19IN4O

SMILES: CC1=CC=C(C=C1)C1=NN2C3=CC=C(NC(=O)C4=CC=CC=C4I)C=C3N=C2C2=C1C=CC=C2

IUPAC: 2-iodo-N-[8-(4-methylphenyl)-9,10,17-triazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-14-yl]benzamide

InChI: InChI=1S/C28H19IN4O/c1-17-10-12-18(13-11-17)26-20-6-2-3-7-21(20)27-31-24-16-19(14-15-25(24)33(27)32-26)30-28(34)22-8-4-5-9-23(22)29/h2-16H,1H3,(H,30,34)

Composition: C (60.66%), H (3.45%), I (22.89%), N (10.11%), O (2.89%)

Molar Mass: 554.391

Atom Count: 53

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	6
Asymmetric Atom Count	0
Exact Mass	554.06036
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NLYAJEILKQIEJJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	154.88
Topological Polar Surface Area	59.29
Polarizability	57.62
Ring Count	6
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H19IN4O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00