1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole

C50H32F6N8 — CID 148780314

IUPAC1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(-c2ccccc2)c(-c2cc(-c3cc(-c4nccn4-c4ccccc4)cc(-c4nc(C(F)(F)F)cn4-c4ccccc4)c3)cc(-c3nccn3-c3ccccc3)c2)n1
InChIInChI=1S/C50H32F6N8/c51-49(52,53)43-31-63(41-17-9-3-10-18-41)47(59-43)37-27-33(25-35(29-37)45-57-21-23-61(45)39-13-5-1-6-14-39)34-26-36(46-58-22-24-62(46)40-15-7-2-8-16-40)30-38(28-34)48-60-44(50(54,55)56)32-64(48)42-19-11-4-12-20-42/h1-32H
InChIKeyOKDYGSONCSCDNY-UHFFFAOYSA-N
MW858.85 g/mol
LogP12.80
Rot. Bonds9

About 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole

1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole (PubChem CID 148780314) has the molecular formula C50H32F6N8 and a molecular weight of 858.85 g/mol. Its IUPAC name is 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole
PubChem CID148780314
Molecular FormulaC50H32F6N8
Molecular Weight858.85 g/mol
Exact Mass858.27
IUPAC Name1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(-c2ccccc2)c(-c2cc(-c3cc(-c4nccn4-c4ccccc4)cc(-c4nc(C(F)(F)F)cn4-c4ccccc4)c3)cc(-c3nccn3-c3ccccc3)c2)n1
InChIInChI=1S/C50H32F6N8/c51-49(52,53)43-31-63(41-17-9-3-10-18-41)47(59-43)37-27-33(25-35(29-37)45-57-21-23-61(45)39-13-5-1-6-14-39)34-26-36(46-58-22-24-62(46)40-15-7-2-8-16-40)30-38(28-34)48-60-44(50(54,55)56)32-64(48)42-19-11-4-12-20-42/h1-32H
InChIKeyOKDYGSONCSCDNY-UHFFFAOYSA-N
XLogP12.80
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.85
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(Cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644542
1-Benzyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644543
1-Methyl-2-[3-methyl-2-(3-methylimidazol-4-yl)imidazol-4-yl]-5-(1-methyl-5-phenylimidazol-2-yl)imidazole
CID 145969348
3-[5-[3,5-Bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine
CID 71569598
3-[5-[3,5-Bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine
CID 71569930
1-Benzyl-2,5-bis(3,5-bis(trifluoromethyl)phenyl)-1h-imidazole
CID 122388339
[{(IPr)PBr}2Br][BArF]
CID 139048860
Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
CID 139119653
Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
CID 139131436
2-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-bis[2-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]ethanamine
CID 168342958
ZINC 24-(1-benzyltriazol-4-yl)-5,6,7,8,14,15,16,17,32,33,34,35-dodecakis(2,2,2-trifluoroethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22(27),23,25,28,30(37),31,33,35-nonadecaene
CID 176424939
Tetrakis[4-(1-imidazolyl)phenyl]methane
CID 91799111

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole (CID 148780314) is 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole is FC(F)(F)c1cn(-c2ccccc2)c(-c2cc(-c3cc(-c4nccn4-c4ccccc4)cc(-c4nc(C(F)(F)F)cn4-c4ccccc4)c3)cc(-c3nccn3-c3ccccc3)c2)n1.
What is the InChIKey of 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole?
The InChIKey is OKDYGSONCSCDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F6N8/c51-49(52,53)43-31-63(41-17-9-3-10-18-41)47(59-43)37-27-33(25-35(29-37)45-57-21-23-61(45)39-13-5-1-6-14-39)34-26-36(46-58-22-24-62(46)40-15-7-2-8-16-40)30-38(28-34)48-60-44(50(54,55)56)32-64(48)42-19-11-4-12-20-42/h1-32H.
What are the key properties of 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole?
1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole has a molecular weight of 858.85 g/mol, XLogP of 12.80, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 148780314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).