2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile

C27H23F3N2 — CID 21468877

IUPAC2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile
SMILESCCCCC(c1ccc(C(F)(F)F)cc1)n1ccc2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C27H23F3N2/c1-2-3-8-25(19-9-12-23(13-10-19)27(28,29)30)32-16-15-21-17-20(11-14-26(21)32)24-7-5-4-6-22(24)18-31/h4-7,9-17,25H,2-3,8H2,1H3
InChIKeyYCRVPYZMIVALKD-UHFFFAOYSA-N
MW432.49 g/mol
LogP7.98
Rot. Bonds6

About 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile

2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile (PubChem CID 21468877) has the molecular formula C27H23F3N2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile
PubChem CID21468877
Molecular FormulaC27H23F3N2
Molecular Weight432.49 g/mol
Exact Mass432.18
IUPAC Name2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile
SMILESCCCCC(c1ccc(C(F)(F)F)cc1)n1ccc2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C27H23F3N2/c1-2-3-8-25(19-9-12-23(13-10-19)27(28,29)30)32-16-15-21-17-20(11-14-26(21)32)24-7-5-4-6-22(24)18-31/h4-7,9-17,25H,2-3,8H2,1H3
InChIKeyYCRVPYZMIVALKD-UHFFFAOYSA-N
XLogP7.98
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylphenyl)pentyl]indole
CID 56986227
3-[4-methyl-1-[5-[4-(trifluoromethyl)phenyl]indol-1-yl]pentyl]benzoic acid
CID 153324642
ethyl 5-[4-[4,4-difluoro-1-[5-[4-(trifluoromethyl)phenyl]indol-1-yl]pentyl]phenyl]-5-oxopentanoate
CID 152794796
3-[1-[1-(4-methylphenyl)pentyl]indol-5-yl]but-2-enoic acid
CID 54398575
[[4-[3-(4-chlorophenyl)-1-[5-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]benzoyl]amino] propanoate
CID 153324643
2-[6-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 138486444
2-[9-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142501874
2-(2-oxo-3-pentan-2-yl-1,3-benzothiazol-6-yl)benzonitrile
CID 54577787
1-[3-oxo-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]indole-3-carbonitrile
CID 177472474
1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]indole-5-carboxamide
CID 71075155
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 149474469

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile?
The IUPAC name of 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile (CID 21468877) is 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile.
What is the SMILES notation for 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile?
The canonical SMILES for 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile is CCCCC(c1ccc(C(F)(F)F)cc1)n1ccc2cc(-c3ccccc3C#N)ccc21.
What is the InChIKey of 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile?
The InChIKey is YCRVPYZMIVALKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2/c1-2-3-8-25(19-9-12-23(13-10-19)27(28,29)30)32-16-15-21-17-20(11-14-26(21)32)24-7-5-4-6-22(24)18-31/h4-7,9-17,25H,2-3,8H2,1H3.
What are the key properties of 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile?
2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile has a molecular weight of 432.49 g/mol, XLogP of 7.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[4-(trifluoromethyl)phenyl]pentyl]indol-5-yl]benzonitrile is sourced from PubChem (CID 21468877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).