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2,7,12,17-tetrakis(4-nitrophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,?.1?,¹¹.1¹³,¹?]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene

2,7,12,17-tetrakis(4-nitrophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,?.1?,¹¹.1¹³,¹?]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene

Formula: C44H26N8O8

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=C2NC(C=C2)=C(C2=NC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1N2)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 2,7,12,17-tetrakis(4-nitrophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,?.1?,¹¹.1¹³,¹?]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene

InChI: InChI=1S/C44H26N8O8/c53-49(54)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)50(55)56)37-21-23-39(47-37)44(28-7-15-32(16-8-28)52(59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)51(57)58/h1-24,45-46H

Composition: C (66.50%), H (3.30%), N (14.10%), O (16.10%)

Molar Mass: 794.74

Atom Count: 86

Heavy Atom Count: 60

Properties
Properties
Common Names N/A
Aromatic Ring Count 9
Asymmetric Atom Count 0
Exact Mass 794.187359829
Formal Charge 0
FSP3 0
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 2
InChIKey SUAWNOHFQSQAOK-LWQDQPMZSA-N
Lipinski's Rule of Five
Molar Refractivity 218.28
Topological Polar Surface Area 229.92
Polarizability 92.2
Ring Count 9
Rotatable Bond Count 8

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C44H26N8O8 Quote Only