2,9-dibromo-6,13-bis(2-hexyldecyl)-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2,9-dibromo-6,13-bis(2-hexyldecyl)-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

Formula: C46H68Br2N2O4

SMILES: CCCCCCCCC(CCCCCC)CN1C(=O)C2=CC(Br)=C3C(=O)N(CC(CCCCCC)CCCCCCCC)C(=O)C4=C3C2=C(C(Br)=C4)C1=O

IUPAC: 2,9-dibromo-6,13-bis(2-hexyldecyl)-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

InChI: InChI=1/C46H68Br2N2O4/c1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)31-49-43(51)35-29-38(48)42-40-36(30-37(47)41(39(35)40)45(49)53)44(52)50(46(42)54)32-34(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h29-30,33-34H,5-28,31-32H2,1-4H3

Composition: C (63.30%), H (7.85%), Br (18.31%), N (3.21%), O (7.33%)

Molar Mass: 872.868

Atom Count: 122

Heavy Atom Count: 54

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	870.354585
Formal Charge	0
FSP3	0.7
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MBCCXMJGNFCYKE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	231.97
Topological Polar Surface Area	74.76
Polarizability	89.74
Ring Count	4
Rotatable Bond Count	28

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C46H68Br2N2O4		Quote Only