[3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane

C26H19BrF3GeNS — CID 162482650

IUPAC[3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane
SMILESC[Ge](C)(C)c1cc(-c2nccc3c(Br)c(-c4c(F)ccc(F)c4F)sc23)cc2ccccc12
InChIInChI=1S/C26H19BrF3GeNS/c1-31(2,3)20-13-15(12-14-6-4-5-7-16(14)20)24-25-17(10-11-32-24)22(27)26(33-25)21-18(28)8-9-19(29)23(21)30/h4-13H,1-3H3
InChIKeyIYXLWGPZAINOFZ-UHFFFAOYSA-N
MW587.02 g/mol
LogP8.51
Rot. Bonds3

About [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane

[3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane (PubChem CID 162482650) has the molecular formula C26H19BrF3GeNS and a molecular weight of 587.02 g/mol. Its IUPAC name is [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane.

Molecular Properties

Compound Name[3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane
PubChem CID162482650
Molecular FormulaC26H19BrF3GeNS
Molecular Weight587.02 g/mol
Exact Mass586.96
IUPAC Name[3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane
SMILESC[Ge](C)(C)c1cc(-c2nccc3c(Br)c(-c4c(F)ccc(F)c4F)sc23)cc2ccccc12
InChIInChI=1S/C26H19BrF3GeNS/c1-31(2,3)20-13-15(12-14-6-4-5-7-16(14)20)24-25-17(10-11-32-24)22(27)26(33-25)21-18(28)8-9-19(29)23(21)30/h4-13H,1-3H3
InChIKeyIYXLWGPZAINOFZ-UHFFFAOYSA-N
XLogP8.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.02
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane 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

7-[(4-Bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine
CID 59715692
4-Bromo-1-fluoro-2-(5-(2-pyridyl)-2-thienylmethyl)naphthalene
CID 66607871
4-(4-Tert-butylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine
CID 121382362
4-(4-Tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine
CID 121382364
4-(4-Tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine
CID 121382367
4-(4-Tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine
CID 134443504
2-[5-(4-Bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine
CID 141106928
2-[(E)-2-(4,4a,5,6,7,8,8a,9-octahydrobenzo[f][2]benzothiol-4-yl)ethenyl]-5-(3-fluorophenyl)pyridine
CID 143653919
1-(4-Tert-butylnaphthalen-2-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 154599329
2-(4-Tert-butylnaphthalen-2-yl)-4-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1-benzothiophen-6-yl]pyridine
CID 156199318
6-(4-Tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline
CID 156217331
7-(1-benzothiophen-2-yl)-5-(3-fluoro-2-pyridinyl)-1H-isoindole
CID 157539156

Frequently Asked Questions

What is the IUPAC name of [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane?
The IUPAC name of [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane (CID 162482650) is [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane.
What is the SMILES notation for [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane?
The canonical SMILES for [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane is C[Ge](C)(C)c1cc(-c2nccc3c(Br)c(-c4c(F)ccc(F)c4F)sc23)cc2ccccc12.
What is the InChIKey of [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane?
The InChIKey is IYXLWGPZAINOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrF3GeNS/c1-31(2,3)20-13-15(12-14-6-4-5-7-16(14)20)24-25-17(10-11-32-24)22(27)26(33-25)21-18(28)8-9-19(29)23(21)30/h4-13H,1-3H3.
What are the key properties of [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane?
[3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane has a molecular weight of 587.02 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-bromo-2-(2,3,6-trifluorophenyl)thieno[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane is sourced from PubChem (CID 162482650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).