1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole

C23H16F3N3 — CID 132503424

IUPAC1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole
SMILESFC(F)(F)CC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3)nnn21
InChIInChI=1S/C23H16F3N3/c24-23(25,26)15-22(17-11-5-2-6-12-17)19-14-8-7-13-18(19)21-20(27-28-29(21)22)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeySDQIVQLRXOJIGP-UHFFFAOYSA-N
MW391.40 g/mol
LogP5.67
Rot. Bonds3

About 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole

1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole (PubChem CID 132503424) has the molecular formula C23H16F3N3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole.

Molecular Properties

Compound Name1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole
PubChem CID132503424
Molecular FormulaC23H16F3N3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole
SMILESFC(F)(F)CC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3)nnn21
InChIInChI=1S/C23H16F3N3/c24-23(25,26)15-22(17-11-5-2-6-12-17)19-14-8-7-13-18(19)21-20(27-28-29(21)22)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeySDQIVQLRXOJIGP-UHFFFAOYSA-N
XLogP5.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-5H-triazolo[5,1-a]isoindole
CID 101373390
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1,3-diphenyl-1-(trifluoromethyl)indene
CID 137346219
(4S)-2,4-diphenyl-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine
CID 139192180
1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
CID 102474946
(4R)-2,4-diphenyl-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine;(4S)-2,4-diphenyl-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine
CID 139192178
(4,5-diphenyltriazol-1-yl)methanol
CID 174976406
4-ethyl-3,4-dimethyl-1-phenyl-3-(2,2,2-trifluoroethyl)isoquinoline
CID 167440956
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane
CID 160611657
(11R)-6,11-diphenylindeno[1,2-c]quinolin-11-ol
CID 139182041
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole?
The IUPAC name of 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole (CID 132503424) is 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole.
What is the SMILES notation for 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole?
The canonical SMILES for 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole is FC(F)(F)CC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3)nnn21.
What is the InChIKey of 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole?
The InChIKey is SDQIVQLRXOJIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3/c24-23(25,26)15-22(17-11-5-2-6-12-17)19-14-8-7-13-18(19)21-20(27-28-29(21)22)16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole?
1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole has a molecular weight of 391.40 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-5-(2,2,2-trifluoroethyl)triazolo[5,1-a]isoindole is sourced from PubChem (CID 132503424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).