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N1,N6-diphenyl-N1,N6-bis({10-phenyl-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl})pyrene-1,6-diamine

N1,N6-diphenyl-N1,N6-bis({10-phenyl-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl})pyrene-1,6-diamine

Formula: C64H40N2O2

SMILES: O1C2=C(C=CC=C2N(C2=CC=CC=C2)C2=CC=C3C=CC4=C(C=CC5=C4C3=C2C=C5)N(C2=CC=CC=C2)C2=CC=CC3=C2OC2=C3C=CC=C2C2=CC=CC=C2)C2=C1C(=CC=C2)C1=CC=CC=C1

IUPAC: N1,N6-diphenyl-N1,N6-bis({10-phenyl-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl})pyrene-1,6-diamine

InChI: InChI=1S/C64H40N2O2/c1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-4

Composition: C (88.45%), H (4.64%), N (3.22%), O (3.68%)

Molar Mass: 869.036

Atom Count: 108

Heavy Atom Count: 68

Properties
Properties
Common Names N/A
Aromatic Ring Count 14
Asymmetric Atom Count 0
Exact Mass 868.308978536
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XEGZHLZHNKUXJP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 273.65
Topological Polar Surface Area 32.76
Polarizability 116.97
Ring Count 14
Rotatable Bond Count 8

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C64H40N2O2 Quote Only