Name: Name:tetrakis(4-nitrophenyl)Methane
Brand: Angene
SKU: AG00ELKE
Rating: 90 (10 reviews)

tetrakis(4-nitrophenyl)Methane

CAS No.:

60532-62-9

Catalog Number:

AG00ELKE

Molecular Formula:

C25H16N4O8

Molecular Weight:

500.4165

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Product Description

Catalog Number:

AG00ELKE

Chemical Name:

tetrakis(4-nitrophenyl)Methane

CAS Number:

60532-62-9

Molecular Formula:

C25H16N4O8

Molecular Weight:

500.4165

MDL Number:

MFCD12546931

IUPAC Name:

1-nitro-4-[tris(4-nitrophenyl)methyl]benzene

InChI:

InChI=1S/C25H16N4O8/c30-26(31)21-9-1-17(2-10-21)25(18-3-11-22(12-4-18)27(32)33,19-5-13-23(14-6-19)28(34)35)20-7-15-24(16-8-20)29(36)37/h1-16H

InChI Key:

XVFUQPAZKCFNTH-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)C(c1ccc(cc1)[N+](=O)[O-])(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

689

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

500.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

500.423g/mol

Monoisotopic Mass:

500.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

183A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.3

Literature

Title	Journal
Inclusion compounds of tetrakis(4-nitrophenyl)methane: C-H...O networks, pseudopolymorphism, and structural transformations.	Journal of the American Chemical Society 20010516