2-[3,5-bis[5-(4-nitrophenyl)pyrimidin-2-yl]phenyl]-5-(4-nitrophenyl)pyrimidine

Systemtic Name: 2-[3,5-bis[5-(4-nitrophenyl)pyrimidin-2-yl]phenyl]-5-(4-nitrophenyl)pyrimidine Openeye Name: 2-[3,5-bis[5-(4-nitrophenyl)pyrimidin-2-yl]phenyl]-5-(4-nitrophenyl)pyrimidine CAS Name: 2-[3,5-bis[5-(4-nitrophenyl)-2-pyrimidinyl]phenyl]-5-(4-nitrophenyl)pyrimidine IUPAC Name: 2-[3,5-bis[5-(4-nitrophenyl)pyrimidin-2-yl]phenyl]-5-(4-nitrophenyl)pyrimidine Traditional Name: 2-[3,5-bis[5-(4-nitrophenyl)pyrimidin-2-yl]phenyl]-5-(4-nitrophenyl)pyrimidine Formula: C36H21N9O6 MolecularWeight: 675.60864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2)C3=CC(=CC(=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)[N+](=O)[O-])C6=NC=C(C=N6)C7=CC=C(C=C7)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2)C3=CC(=CC(=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)[N+](=O)[O-])C6=NC=C(C=N6)C7=CC=C(C=C7)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C36H21N9O6/c46-43(47)31-7-1-22(2-8-31)28-16-37-34(38-17-28)25-13-26(35-39-18-29(19-40-35)23-3-9-32(10-4-23)44(48)49)15-27(14-25)36-41-20-30(21-42-36)24-5-11-33(12-6-24)45(50)51/h1-21H