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

6,13-bis(2-aminocyclohexyl)-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: C26H28N4O4

SMILES: NC1CCCCC1N1C(=O)C2=CC=C3C(=O)N(C4CCCCC4N)C(=O)C4=C3C2=C(C=C4)C1=O

IUPAC: 6,13-bis(2-aminocyclohexyl)-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/C26H28N4O4/c27-17-5-1-3-7-19(17)29-23(31)13-9-11-15-22-16(12-10-14(21(13)22)24(29)32)26(34)30(25(15)33)20-8-4-2-6-18(20)28/h9-12,17-20H,1-8,27-28H2

Composition: C (67.81%), H (6.13%), N (12.17%), O (13.90%)

Molar Mass: 460.534

Atom Count: 62

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 4
Exact Mass 460.211055398
Formal Charge 0
FSP3 0.46
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey RERDXPKEIRVWQC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.88
Topological Polar Surface Area 126.8
Polarizability 49.13
Ring Count 6
Rotatable Bond Count 2

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