2,3-bis[3-(1-cyano-1-methylethyl)-5-methylphenyl]-2-methylpropanenitrile

2,3-bis[3-(1-cyano-1-methylethyl)-5-methylphenyl]-2-methylpropanenitrile

CAS: 918312-71-7

Formula: C26H29N3

SMILES: CC1=CC(CC(C)(C#N)C2=CC(=CC(C)=C2)C(C)(C)C#N)=CC(=C1)C(C)(C)C#N

IUPAC: 2,3-bis[3-(1-cyano-1-methylethyl)-5-methylphenyl]-2-methylpropanenitrile

InChI: InChI=1/C26H29N3/c1-18-8-20(12-21(9-18)24(3,4)15-27)14-26(7,17-29)23-11-19(2)10-22(13-23)25(5,6)16-28/h8-13H,14H2,1-7H3

Composition: C (81.42%), H (7.62%), N (10.96%)

Molar Mass: 383.539

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	383.236147946
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DSWIROKRYFYWHD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	118.92
Topological Polar Surface Area	71.37
Polarizability	45.1
Ring Count	2
Rotatable Bond Count	5

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