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

C33H24F3NO — CID 10006428

IUPAC[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
SMILESCc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H24F3NO/c1-21-12-14-23(15-13-21)28-20-27(22-8-4-2-5-9-22)29(24-16-18-26(19-17-24)33(34,35)36)31(37)30(28)32(38)25-10-6-3-7-11-25/h2-20H,37H2,1H3
InChIKeyDQVRMTFAYHLREP-UHFFFAOYSA-N
MW507.56 g/mol
LogP8.83
Rot. Bonds5

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

[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone (PubChem CID 10006428) has the molecular formula C33H24F3NO and a molecular weight of 507.56 g/mol. Its IUPAC name is [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
PubChem CID10006428
Molecular FormulaC33H24F3NO
Molecular Weight507.56 g/mol
Exact Mass507.18
IUPAC Name[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
SMILESCc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H24F3NO/c1-21-12-14-23(15-13-21)28-20-27(22-8-4-2-5-9-22)29(24-16-18-26(19-17-24)33(34,35)36)31(37)30(28)32(38)25-10-6-3-7-11-25/h2-20H,37H2,1H3
InChIKeyDQVRMTFAYHLREP-UHFFFAOYSA-N
XLogP8.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 58.83
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-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
CID 10459372
[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
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
CID 161391832
CID 161391832
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
2-amino-6-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]benzoic acid
CID 162597608
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol
CID 174485534
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone (CID 10006428) is [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone is Cc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(N)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
The InChIKey is DQVRMTFAYHLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F3NO/c1-21-12-14-23(15-13-21)28-20-27(22-8-4-2-5-9-22)29(24-16-18-26(19-17-24)33(34,35)36)31(37)30(28)32(38)25-10-6-3-7-11-25/h2-20H,37H2,1H3.
What are the key properties of [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone?
[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone has a molecular weight of 507.56 g/mol, XLogP of 8.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 10006428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).