[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone

C34H26F3NO — CID 10459372

IUPAC[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(-c3ccccc3)cc(-c3ccc(C)cc3)c(-c3ccc(C(F)(F)F)cc3)c2N)cc1
InChIInChI=1S/C34H26F3NO/c1-21-8-12-24(13-9-21)28-20-29(23-6-4-3-5-7-23)31(33(39)26-14-10-22(2)11-15-26)32(38)30(28)25-16-18-27(19-17-25)34(35,36)37/h3-20H,38H2,1-2H3
InChIKeyFFLHFZDJFSRMQQ-UHFFFAOYSA-N
MW521.58 g/mol
LogP9.14
Rot. Bonds5

About [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone

[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 10459372) has the molecular formula C34H26F3NO and a molecular weight of 521.58 g/mol. Its IUPAC name is [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
PubChem CID10459372
Molecular FormulaC34H26F3NO
Molecular Weight521.58 g/mol
Exact Mass521.20
IUPAC Name[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(-c3ccccc3)cc(-c3ccc(C)cc3)c(-c3ccc(C(F)(F)F)cc3)c2N)cc1
InChIInChI=1S/C34H26F3NO/c1-21-8-12-24(13-9-21)28-20-29(23-6-4-3-5-7-23)31(33(39)26-14-10-22(2)11-15-26)32(38)30(28)25-16-18-27(19-17-25)34(35,36)37/h3-20H,38H2,1-2H3
InChIKeyFFLHFZDJFSRMQQ-UHFFFAOYSA-N
XLogP9.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.58
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
CID 10006428
[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
CID 10461064
[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone
CID 10939825
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
CID 161391832
CID 161391832
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
2-amino-6-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]benzoic acid
CID 162597608
ethyl 6-(4-fluorophenyl)-2-hydroxy-3,4-diphenylbenzoate
CID 132550879
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone (CID 10459372) is [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(-c3ccccc3)cc(-c3ccc(C)cc3)c(-c3ccc(C(F)(F)F)cc3)c2N)cc1.
What is the InChIKey of [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is FFLHFZDJFSRMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F3NO/c1-21-8-12-24(13-9-21)28-20-29(23-6-4-3-5-7-23)31(33(39)26-14-10-22(2)11-15-26)32(38)30(28)25-16-18-27(19-17-25)34(35,36)37/h3-20H,38H2,1-2H3.
What are the key properties of [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone?
[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 521.58 g/mol, XLogP of 9.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 10459372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).