[2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone

C33H24F3NO2 — CID 10029741

IUPAC[2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H24F3NO2/c1-39-26-18-14-22(15-19-26)28-20-27(21-8-4-2-5-9-21)29(23-12-16-25(17-13-23)33(34,35)36)31(37)30(28)32(38)24-10-6-3-7-11-24/h2-20H,37H2,1H3
InChIKeyVTQHCNWUXQDGME-UHFFFAOYSA-N
MW523.55 g/mol
LogP8.53
Rot. Bonds6

About [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone

[2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone (PubChem CID 10029741) has the molecular formula C33H24F3NO2 and a molecular weight of 523.55 g/mol. Its IUPAC name is [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
PubChem CID10029741
Molecular FormulaC33H24F3NO2
Molecular Weight523.55 g/mol
Exact Mass523.18
IUPAC Name[2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H24F3NO2/c1-39-26-18-14-22(15-19-26)28-20-27(21-8-4-2-5-9-21)29(23-12-16-25(17-13-23)33(34,35)36)31(37)30(28)32(38)24-10-6-3-7-11-24/h2-20H,37H2,1H3
InChIKeyVTQHCNWUXQDGME-UHFFFAOYSA-N
XLogP8.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.55
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinolin-4-one
CID 67609434
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-7-(trifluoromethyl)-1H-quinolin-4-one
CID 70687915
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1H-quinolin-4-one
CID 71593886
3,6,8-tris(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 139232868
3-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-methoxyphenyl)-6,8-diphenyl-1H-quinolin-4-one
CID 139232869
6,8-bis(4-fluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 139232872
(2-Amino-5-methoxyphenyl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
CID 164672955
5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166442733
[4-Amino-3-(4-methoxybenzoyl)-2,5,6-triphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924399
[4-Amino-3-benzoyl-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-phenylmethanone
CID 134924403
[4-Amino-3-(4-chlorobenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-chlorophenyl)methanone
CID 134924404
[4-Amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924490

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone (CID 10029741) is [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone is COc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(N)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
The InChIKey is VTQHCNWUXQDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F3NO2/c1-39-26-18-14-22(15-19-26)28-20-27(21-8-4-2-5-9-21)29(23-12-16-25(17-13-23)33(34,35)36)31(37)30(28)32(38)24-10-6-3-7-11-24/h2-20H,37H2,1H3.
What are the key properties of [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
[2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone has a molecular weight of 523.55 g/mol, XLogP of 8.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 10029741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).