1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine

C21H18N2O2Se — CID 134997351

IUPAC1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine
SMILESCc1ccc(C(=N[Se]c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O2Se/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)22-26-20-13-11-19(12-14-20)23(24)25/h3-14H,1-2H3
InChIKeyQDGSIKZYBKKAAE-UHFFFAOYSA-N
MW409.35 g/mol
LogP3.99
Rot. Bonds5

About 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine

1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine (PubChem CID 134997351) has the molecular formula C21H18N2O2Se and a molecular weight of 409.35 g/mol. Its IUPAC name is 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine.

Molecular Properties

Compound Name1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine
PubChem CID134997351
Molecular FormulaC21H18N2O2Se
Molecular Weight409.35 g/mol
Exact Mass410.05
IUPAC Name1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine
SMILESCc1ccc(C(=N[Se]c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O2Se/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)22-26-20-13-11-19(12-14-20)23(24)25/h3-14H,1-2H3
InChIKeyQDGSIKZYBKKAAE-UHFFFAOYSA-N
XLogP3.99
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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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Related Compounds

(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine;phosphane
CID 172951383
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
4-methylphenol;4-nitrophenol
CID 68529378
ethanol;1-methyl-4-nitrobenzene
CID 91088173
(4-methylphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 14528183
(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine
CID 6529063
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
N-methyl-N-(4-methylphenyl)sulfonyl-4-nitrobenzamide
CID 138964828
N-(4-tert-butylphenyl)-1,1-bis(4-nitrophenyl)methanimine
CID 166063764

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine?
The IUPAC name of 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine (CID 134997351) is 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine.
What is the SMILES notation for 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine?
The canonical SMILES for 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine is Cc1ccc(C(=N[Se]c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine?
The InChIKey is QDGSIKZYBKKAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2Se/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)22-26-20-13-11-19(12-14-20)23(24)25/h3-14H,1-2H3.
What are the key properties of 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine?
1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine has a molecular weight of 409.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methylphenyl)-N-(4-nitrophenyl)selanylmethanimine is sourced from PubChem (CID 134997351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).