CID 136728558

C35H20F15Te — CID 136728558

IUPAC—
SMILESFC(F)(F)c1ccc([Te](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C35H20F15Te/c36-31(37,38)21-1-11-26(12-2-21)51(27-13-3-22(4-14-27)32(39,40)41,28-15-5-23(6-16-28)33(42,43)44,29-17-7-24(8-18-29)34(45,46)47)30-19-9-25(10-20-30)35(48,49)50/h1-20H
InChIKeyDZCPBYMICREZQP-UHFFFAOYSA-N
MW853.11 g/mol
LogP9.02
Rot. Bonds5

About CID 136728558

CID 136728558 (PubChem CID 136728558) has the molecular formula C35H20F15Te and a molecular weight of 853.11 g/mol.

Molecular Properties

Compound NameCID 136728558
PubChem CID136728558
Molecular FormulaC35H20F15Te
Molecular Weight853.11 g/mol
Exact Mass855.04
IUPAC Name—
SMILESFC(F)(F)c1ccc([Te](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C35H20F15Te/c36-31(37,38)21-1-11-26(12-2-21)51(27-13-3-22(4-14-27)32(39,40)41,28-15-5-23(6-16-28)33(42,43)44,29-17-7-24(8-18-29)34(45,46)47)30-19-9-25(10-20-30)35(48,49)50/h1-20H
InChIKeyDZCPBYMICREZQP-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.11
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 136728558 with MolForge

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

Launch Full Analysis

Related Compounds

1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
CID 154390518
CID 154390518
[4-(trifluoromethyl)phenyl]alumane
CID 173025651
4-(trifluoromethyl)(18F)phenol
CID 71660610
1-[chloro-bis[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 14292463
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
4-(trifluoromethyl)benzenethiol;pentahydrofluoride
CID 175479742
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
sodium 1-methanidyl-4-(trifluoromethyl)benzene
CID 71382851
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017

Frequently Asked Questions

What is the IUPAC name of CID 136728558?
The IUPAC name of CID 136728558 (CID 136728558) is not available.
What is the SMILES notation for CID 136728558?
The canonical SMILES for CID 136728558 is FC(F)(F)c1ccc([Te](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of CID 136728558?
The InChIKey is DZCPBYMICREZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20F15Te/c36-31(37,38)21-1-11-26(12-2-21)51(27-13-3-22(4-14-27)32(39,40)41,28-15-5-23(6-16-28)33(42,43)44,29-17-7-24(8-18-29)34(45,46)47)30-19-9-25(10-20-30)35(48,49)50/h1-20H.
What are the key properties of CID 136728558?
CID 136728558 has a molecular weight of 853.11 g/mol, XLogP of 9.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136728558 is sourced from PubChem (CID 136728558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).