bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone

C51H58N4O3 — CID 161451495

IUPACbis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1.CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O.C17H20N2O.C13H10O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4;1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h9-16H,5-8H2,1-4H3;5-12H,1-4H3;1-10H
InChIKeyWAOZTWZAMUOYDX-UHFFFAOYSA-N
MW775.05 g/mol
LogP10.58
Rot. Bonds14

About bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone

bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone (PubChem CID 161451495) has the molecular formula C51H58N4O3 and a molecular weight of 775.05 g/mol. Its IUPAC name is bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone.

Molecular Properties

Compound Namebis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
PubChem CID161451495
Molecular FormulaC51H58N4O3
Molecular Weight775.05 g/mol
Exact Mass774.45
IUPAC Namebis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1.CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O.C17H20N2O.C13H10O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4;1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h9-16H,5-8H2,1-4H3;5-12H,1-4H3;1-10H
InChIKeyWAOZTWZAMUOYDX-UHFFFAOYSA-N
XLogP10.58
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.05
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
[4-(diethylamino)phenyl] benzoate
CID 67071301
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618
CID 102282703
CID 102282703
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898

Frequently Asked Questions

What is the IUPAC name of bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone?
The IUPAC name of bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone (CID 161451495) is bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone.
What is the SMILES notation for bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone?
The canonical SMILES for bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone is CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1.CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone?
The InChIKey is WAOZTWZAMUOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.C17H20N2O.C13H10O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4;1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h9-16H,5-8H2,1-4H3;5-12H,1-4H3;1-10H.
What are the key properties of bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone?
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone has a molecular weight of 775.05 g/mol, XLogP of 10.58, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone is sourced from PubChem (CID 161451495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).