3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole

C28H17F6NO — CID 151105691

IUPAC3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole
SMILESFC(F)(F)c1cc(Oc2c(-c3ccc(-c4ccccc4)cc3)[nH]c3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C28H17F6NO/c29-27(30,31)20-14-21(28(32,33)34)16-22(15-20)36-26-23-8-4-5-9-24(23)35-25(26)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,35H
InChIKeyMPBDNWPHKUCXMB-UHFFFAOYSA-N
MW497.44 g/mol
LogP9.33
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole

3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole (PubChem CID 151105691) has the molecular formula C28H17F6NO and a molecular weight of 497.44 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole
PubChem CID151105691
Molecular FormulaC28H17F6NO
Molecular Weight497.44 g/mol
Exact Mass497.12
IUPAC Name3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole
SMILESFC(F)(F)c1cc(Oc2c(-c3ccc(-c4ccccc4)cc3)[nH]c3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C28H17F6NO/c29-27(30,31)20-14-21(28(32,33)34)16-22(15-20)36-26-23-8-4-5-9-24(23)35-25(26)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,35H
InChIKeyMPBDNWPHKUCXMB-UHFFFAOYSA-N
XLogP9.33
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.44
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
3-fluoro-2-phenyl-1H-indole
CID 141242496
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9H-carbazole
CID 175519372
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
CID 151907169
CID 151907169
N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]propan-2-amine
CID 59920953
3-phenoxy-5-(trifluoromethyl)phenol
CID 66883076
(1R,5S)-3-[3-phenyl-5-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 53318705
2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole
CID 11281945
2-(3-phenylphenyl)-9H-carbazole
CID 135143847

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole (CID 151105691) is 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole is FC(F)(F)c1cc(Oc2c(-c3ccc(-c4ccccc4)cc3)[nH]c3ccccc23)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole?
The InChIKey is MPBDNWPHKUCXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F6NO/c29-27(30,31)20-14-21(28(32,33)34)16-22(15-20)36-26-23-8-4-5-9-24(23)35-25(26)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,35H.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole?
3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole has a molecular weight of 497.44 g/mol, XLogP of 9.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole is sourced from PubChem (CID 151105691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).