CC1=CC(=CC1=C(C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C
Name: 1-tert-butyl-4-[(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-ylidene)-(4-tert-butylphenyl)methyl]benzene
SMILES: CC1=CC(=CC1=C(C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C

Molecular Processing

Molecular formula
C31H40
Molecular weight
412.66
Exact mass
412.313
XLogP
9.02
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
137.6

Supplementary Information

InChIKey: ARMRDDNOUYOHKW-UHFFFAOYSA-N
Synonyme
SCHEMBL2272294ARMRDDNOUYOHKW-UHFFFAOYSA-N3-tert-butyl-1-methyl-6,6-di(4-tert-butyl-phenyl)fulvene
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