5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]

C35H21F3N4 — CID 134266138

IUPAC5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESFC(F)(F)c1cc2n(n1)C1(c3cc(-c4ccccn4)ccc3C=Cc3ccc(-c4ccccn4)cc31)c1ccccc1-2
InChIInChI=1S/C35H21F3N4/c36-35(37,38)33-21-32-26-7-1-2-8-27(26)34(42(32)41-33)28-19-24(30-9-3-5-17-39-30)15-13-22(28)11-12-23-14-16-25(20-29(23)34)31-10-4-6-18-40-31/h1-21H
InChIKeyZFNBKPCENUBKSP-UHFFFAOYSA-N
MW554.58 g/mol
LogP8.33
Rot. Bonds2

About 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]

5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] (PubChem CID 134266138) has the molecular formula C35H21F3N4 and a molecular weight of 554.58 g/mol. Its IUPAC name is 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene].

Molecular Properties

Compound Name5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
PubChem CID134266138
Molecular FormulaC35H21F3N4
Molecular Weight554.58 g/mol
Exact Mass554.17
IUPAC Name5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESFC(F)(F)c1cc2n(n1)C1(c3cc(-c4ccccn4)ccc3C=Cc3ccc(-c4ccccn4)cc31)c1ccccc1-2
InChIInChI=1S/C35H21F3N4/c36-35(37,38)33-21-32-26-7-1-2-8-27(26)34(42(32)41-33)28-19-24(30-9-3-5-17-39-30)15-13-22(28)11-12-23-14-16-25(20-29(23)34)31-10-4-6-18-40-31/h1-21H
InChIKeyZFNBKPCENUBKSP-UHFFFAOYSA-N
XLogP8.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.58
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The IUPAC name of 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] (CID 134266138) is 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene].
What is the SMILES notation for 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The canonical SMILES for 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] is FC(F)(F)c1cc2n(n1)C1(c3cc(-c4ccccn4)ccc3C=Cc3ccc(-c4ccccn4)cc31)c1ccccc1-2.
What is the InChIKey of 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The InChIKey is ZFNBKPCENUBKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F3N4/c36-35(37,38)33-21-32-26-7-1-2-8-27(26)34(42(32)41-33)28-19-24(30-9-3-5-17-39-30)15-13-22(28)11-12-23-14-16-25(20-29(23)34)31-10-4-6-18-40-31/h1-21H.
What are the key properties of 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] has a molecular weight of 554.58 g/mol, XLogP of 8.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5',14'-dipyridin-2-yl-2-(trifluoromethyl)spiro[pyrazolo[5,1-a]isoindole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] is sourced from PubChem (CID 134266138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).