[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone

C34H23F6NO2 — CID 10461064

IUPAC[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C34H23F6NO2/c1-43-26-14-12-21(13-15-26)28-19-27(20-8-4-2-5-9-20)29(31(41)30(28)32(42)22-10-6-3-7-11-22)23-16-24(33(35,36)37)18-25(17-23)34(38,39)40/h2-19H,41H2,1H3
InChIKeyRGFYTARXUGNLFC-UHFFFAOYSA-N
MW591.55 g/mol
LogP9.55
Rot. Bonds6

About [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone

[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone (PubChem CID 10461064) has the molecular formula C34H23F6NO2 and a molecular weight of 591.55 g/mol. Its IUPAC name is [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
PubChem CID10461064
Molecular FormulaC34H23F6NO2
Molecular Weight591.55 g/mol
Exact Mass591.16
IUPAC Name[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C34H23F6NO2/c1-43-26-14-12-21(13-15-26)28-19-27(20-8-4-2-5-9-20)29(31(41)30(28)32(42)22-10-6-3-7-11-22)23-16-24(33(35,36)37)18-25(17-23)34(38,39)40/h2-19H,41H2,1H3
InChIKeyRGFYTARXUGNLFC-UHFFFAOYSA-N
XLogP9.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.55
LogP ≤ 59.55
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

[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
CID 10006428
[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
CID 10459372
[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
CID 170222187
3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
CID 87111772
2-amino-6-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]benzoic acid
CID 162597608
(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
CID 170222374
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone
CID 10939825
[2-amino-5-bromo-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
CID 10342391
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone?
The IUPAC name of [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone (CID 10461064) is [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone?
The canonical SMILES for [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone is COc1ccc(-c2cc(-c3ccccc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(N)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone?
The InChIKey is RGFYTARXUGNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F6NO2/c1-43-26-14-12-21(13-15-26)28-19-27(20-8-4-2-5-9-20)29(31(41)30(28)32(42)22-10-6-3-7-11-22)23-16-24(33(35,36)37)18-25(17-23)34(38,39)40/h2-19H,41H2,1H3.
What are the key properties of [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone?
[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone has a molecular weight of 591.55 g/mol, XLogP of 9.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone is sourced from PubChem (CID 10461064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).