Name: Name:Benzonitrile, 4,4',4'',4'''-methanetetrayltetrakis-
Brand: Angene
SKU: AG0015M3
Rating: 90 (10 reviews)

Benzonitrile, 4,4',4'',4'''-methanetetrayltetrakis-

CAS No.:

121706-21-6

Catalog Number:

AG0015M3

Molecular Formula:

C29H16N4

Molecular Weight:

420.4641

Catalog Number:

AG0015M3

Chemical Name:

Benzonitrile, 4,4',4'',4'''-methanetetrayltetrakis-

CAS Number:

121706-21-6

Molecular Formula:

C29H16N4

Molecular Weight:

420.4641

MDL Number:

MFCD29049230

IUPAC Name:

4-[tris(4-cyanophenyl)methyl]benzonitrile

InChI:

InChI=1S/C29H16N4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16H

InChI Key:

HXZGMLINTVQVPX-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)(c1ccc(cc1)C#N)c1ccc(cc1)C#N

Complexity:

702

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

420.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

420.475g/mol

Monoisotopic Mass:

420.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8