1,3-bis[tris(4-tert-butylphenyl)methyl]urea

Systemtic Name: 1,3-bis[tris(4-tert-butylphenyl)methyl]urea Openeye Name: 1,3-bis[tris(4-tert-butylphenyl)methyl]urea CAS Name: 1,3-bis[tris(4-tert-butylphenyl)methyl]urea IUPAC Name: 1,3-bis[tris(4-tert-butylphenyl)methyl]urea Traditional Name: 1,3-bis[tris(4-tert-butylphenyl)methyl]urea Formula: C63H80N2O MolecularWeight: 881.3221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)NC(=O)NC(C4=CC=C(C=C4)C(C)(C)C)(C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)NC(=O)NC(C4=CC=C(C=C4)C(C)(C)C)(C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C63H80N2O/c1-56(2,3)43-19-31-49(32-20-43)62(50-33-21-44(22-34-50)57(4,5)6,51-35-23-45(24-36-51)58(7,8)9)64-55(66)65-63(52-37-25-46(26-38-52)59(10,11)12,53-39-27-47(28-40-53)60(13,14)15)54-41-29-48(30-42-54)61(16,17)18/h19-42H,1-18H3,(H2,64,65,66)