[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone

C36H33NO2 — CID 175454528

IUPAC[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14O.C17H19NO/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;1-3-18(4-2)16-12-10-15(11-13-16)17(19)14-8-6-5-7-9-14/h1-14H;5-13H,3-4H2,1-2H3
InChIKeyNPTORGYDULNMNR-UHFFFAOYSA-N
MW511.67 g/mol
LogP8.35
Rot. Bonds8

About [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone

[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone (PubChem CID 175454528) has the molecular formula C36H33NO2 and a molecular weight of 511.67 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
PubChem CID175454528
Molecular FormulaC36H33NO2
Molecular Weight511.67 g/mol
Exact Mass511.25
IUPAC Name[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14O.C17H19NO/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;1-3-18(4-2)16-12-10-15(11-13-16)17(19)14-8-6-5-7-9-14/h1-14H;5-13H,3-4H2,1-2H3
InChIKeyNPTORGYDULNMNR-UHFFFAOYSA-N
XLogP8.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
phenyl-(4-phenylphenyl)methanone
CID 155775877
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
CID 170222441
3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
CID 134977150
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
[4-(diethylamino)phenyl] benzoate
CID 67071301
[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone
CID 122429601
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone?
The IUPAC name of [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone (CID 175454528) is [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone is CCN(CC)c1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone?
The InChIKey is NPTORGYDULNMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C17H19NO/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;1-3-18(4-2)16-12-10-15(11-13-16)17(19)14-8-6-5-7-9-14/h1-14H;5-13H,3-4H2,1-2H3.
What are the key properties of [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone?
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone has a molecular weight of 511.67 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone is sourced from PubChem (CID 175454528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).