2-[3,5-bis(1-cyano-2-phenyleth-1-en-1-yl)phenyl]-3-phenylprop-2-enenitrile

2-[3,5-bis(1-cyano-2-phenyleth-1-en-1-yl)phenyl]-3-phenylprop-2-enenitrile

CAS: 351435-98-8

Formula: C33H21N3

SMILES: N#CC(=CC1=CC=CC=C1)C1=CC(=CC(=C1)C(=CC1=CC=CC=C1)C#N)C(=CC1=CC=CC=C1)C#N

IUPAC: 2-[3,5-bis(1-cyano-2-phenyleth-1-en-1-yl)phenyl]-3-phenylprop-2-enenitrile

InChI: InChI=1S/C33H21N3/c34-22-31(16-25-10-4-1-5-11-25)28-19-29(32(23-35)17-26-12-6-2-7-13-26)21-30(20-28)33(24-36)18-27-14-8-3-9-15-27/h1-21H

Composition: C (86.25%), H (4.61%), N (9.14%)

Molar Mass: 459.552

Atom Count: 57

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	459.173547688
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GSBDGQJPHFHFTN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	147.36
Topological Polar Surface Area	71.37
Polarizability	54.55
Ring Count	4
Rotatable Bond Count	6

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