1-bromo-17-{4-[(pyridin-4-yl)methyl]phenyl}-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

1-bromo-17-{4-[(pyridin-4-yl)methyl]phenyl}-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

Formula: C30H21BrN2O2

SMILES: BrC12C3C(C(C4=CC=CC=C14)C1=C2C=CC=C1)C(=O)N(C3=O)C1=CC=C(CC2=CC=NC=C2)C=C1

IUPAC: 1-bromo-17-{4-[(pyridin-4-yl)methyl]phenyl}-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C30H21BrN2O2/c31-30-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)30)26-27(30)29(35)33(28(26)34)20-11-9-18(10-12-20)17-19-13-15-32-16-14-19/h1-16,25-27H,17H2

Composition: C (69.11%), H (4.06%), Br (15.32%), N (5.37%), O (6.14%)

Molar Mass: 521.414

Atom Count: 56

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	520.078641
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KWIBWNXYVYDOED-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	137.7
Topological Polar Surface Area	50.27
Polarizability	52.66
Ring Count	7
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H21BrN2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00