1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine

C35H32F3NO2S — CID 59770127

IUPAC1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCc1ccc(C=C2c3ccccc3CCc3ccccc32)c(S(=O)(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C35H32F3NO2S/c1-24-10-11-29(23-33-31-8-4-2-6-27(31)12-13-28-7-3-5-9-32(28)33)34(22-24)42(40,41)39-20-18-26(19-21-39)25-14-16-30(17-15-25)35(36,37)38/h2-11,14-17,22-23,26H,12-13,18-21H2,1H3
InChIKeyIOSVOXMOQQCQGC-UHFFFAOYSA-N
MW587.71 g/mol
LogP8.27
Rot. Bonds4

About 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine

1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 59770127) has the molecular formula C35H32F3NO2S and a molecular weight of 587.71 g/mol. Its IUPAC name is 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID59770127
Molecular FormulaC35H32F3NO2S
Molecular Weight587.71 g/mol
Exact Mass587.21
IUPAC Name1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCc1ccc(C=C2c3ccccc3CCc3ccccc32)c(S(=O)(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C35H32F3NO2S/c1-24-10-11-29(23-33-31-8-4-2-6-27(31)12-13-28-7-3-5-9-32(28)33)34(22-24)42(40,41)39-20-18-26(19-21-39)25-14-16-30(17-15-25)35(36,37)38/h2-11,14-17,22-23,26H,12-13,18-21H2,1H3
InChIKeyIOSVOXMOQQCQGC-UHFFFAOYSA-N
XLogP8.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.71
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine 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 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine (CID 59770127) is 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine is Cc1ccc(C=C2c3ccccc3CCc3ccccc32)c(S(=O)(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is IOSVOXMOQQCQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F3NO2S/c1-24-10-11-29(23-33-31-8-4-2-6-27(31)12-13-28-7-3-5-9-32(28)33)34(22-24)42(40,41)39-20-18-26(19-21-39)25-14-16-30(17-15-25)35(36,37)38/h2-11,14-17,22-23,26H,12-13,18-21H2,1H3.
What are the key properties of 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine?
1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 587.71 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 59770127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).