5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine

C46H34N8O4 — CID 167533791

IUPAC5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine
SMILESNc1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2)cn1.O=[N+]([O-])c1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2)cn1
InChIInChI=1S/C23H16N4O3.C23H18N4O/c28-27(29)22-12-11-20(16-25-22)30-19-13-14-24-21(15-19)26-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-21-12-11-20(16-26-21)28-19-13-14-25-22(15-19)27-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H;1-16H,(H2,24,26)
InChIKeyAHUNWUNZHRDSBI-UHFFFAOYSA-N
MW762.83 g/mol
LogP10.37
Rot. Bonds11

About 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine

5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 167533791) has the molecular formula C46H34N8O4 and a molecular weight of 762.83 g/mol. Its IUPAC name is 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound Name5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine
PubChem CID167533791
Molecular FormulaC46H34N8O4
Molecular Weight762.83 g/mol
Exact Mass762.27
IUPAC Name5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine
SMILESNc1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2)cn1.O=[N+]([O-])c1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2)cn1
InChIInChI=1S/C23H16N4O3.C23H18N4O/c28-27(29)22-12-11-20(16-25-22)30-19-13-14-24-21(15-19)26-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-21-12-11-20(16-26-21)28-19-13-14-25-22(15-19)27-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H;1-16H,(H2,24,26)
InChIKeyAHUNWUNZHRDSBI-UHFFFAOYSA-N
XLogP10.37
TPSA163.90 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.83
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine (CID 167533791) is 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine is Nc1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2)cn1.O=[N+]([O-])c1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2)cn1.
What is the InChIKey of 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is AHUNWUNZHRDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3.C23H18N4O/c28-27(29)22-12-11-20(16-25-22)30-19-13-14-24-21(15-19)26-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-21-12-11-20(16-26-21)28-19-13-14-25-22(15-19)27-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H;1-16H,(H2,24,26).
What are the key properties of 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine?
5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 762.83 g/mol, XLogP of 10.37, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 167533791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).