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10-cyclohexyl-11,12-diphenyl-4-(pyridin-4-yl)-3,5,6,8,10-pentaazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaene

10-cyclohexyl-11,12-diphenyl-4-(pyridin-4-yl)-3,5,6,8,10-pentaazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaene

Formula: C30H26N6

SMILES: C1CCC(CC1)N1C2=C(C3=NC(=NN3C=N2)C2=CC=NC=C2)C(=C1C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 10-cyclohexyl-11,12-diphenyl-4-(pyridin-4-yl)-3,5,6,8,10-pentaazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaene

InChI: InChI=1S/C30H26N6/c1-4-10-21(11-5-1)25-26-29(32-20-35-30(26)33-28(34-35)23-16-18-31-19-17-23)36(24-14-8-3-9-15-24)27(25)22-12-6-2-7-13-22/h1-2,4-7,10-13,16-20,24H,3,8-9,14-15H2

Composition: C (76.57%), H (5.57%), N (17.86%)

Molar Mass: 470.58

Atom Count: 62

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 470.221894861
Formal Charge 0
FSP3 0.2
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PQKNWJVTZMCZDX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 163.3
Topological Polar Surface Area 60.9
Polarizability 57.76
Ring Count 7
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C30H26N6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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