[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane

C28H26FGeNS — CID 165170727

IUPAC[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
SMILES[2H]C(C)(c1ccnc(-c2cccc3c2sc2cc(-c4ccc(F)cc4)ccc23)c1)[Ge](C)(C)C
InChIInChI=1S/C28H26FGeNS/c1-18(30(2,3)4)20-14-15-31-26(16-20)25-7-5-6-24-23-13-10-21(17-27(23)32-28(24)25)19-8-11-22(29)12-9-19/h5-18H,1-4H3/i18D
InChIKeyLBKIKNLZPPXEJZ-VAAKKRCDSA-N
MW501.20 g/mol
LogP8.90
Rot. Bonds4

About [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane

[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane (PubChem CID 165170727) has the molecular formula C28H26FGeNS and a molecular weight of 501.20 g/mol. Its IUPAC name is [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane.

Molecular Properties

Compound Name[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
PubChem CID165170727
Molecular FormulaC28H26FGeNS
Molecular Weight501.20 g/mol
Exact Mass502.10
IUPAC Name[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
SMILES[2H]C(C)(c1ccnc(-c2cccc3c2sc2cc(-c4ccc(F)cc4)ccc23)c1)[Ge](C)(C)C
InChIInChI=1S/C28H26FGeNS/c1-18(30(2,3)4)20-14-15-31-26(16-20)25-7-5-6-24-23-13-10-21(17-27(23)32-28(24)25)19-8-11-22(29)12-9-19/h5-18H,1-4H3/i18D
InChIKeyLBKIKNLZPPXEJZ-VAAKKRCDSA-N
XLogP8.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.20
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-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

4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-[7-(2,6-dimethylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170725
trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165171153
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
4-[1-deuterio-1-(2-methylphenyl)ethyl]-2-[7-(trifluoromethyl)dibenzothiophen-4-yl]pyridine
CID 165170853
4-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170907
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
CID 166577015
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165170798

Frequently Asked Questions

What is the IUPAC name of [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane?
The IUPAC name of [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane (CID 165170727) is [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane.
What is the SMILES notation for [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane?
The canonical SMILES for [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane is [2H]C(C)(c1ccnc(-c2cccc3c2sc2cc(-c4ccc(F)cc4)ccc23)c1)[Ge](C)(C)C.
What is the InChIKey of [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane?
The InChIKey is LBKIKNLZPPXEJZ-VAAKKRCDSA-N. The full InChI is InChI=1S/C28H26FGeNS/c1-18(30(2,3)4)20-14-15-31-26(16-20)25-7-5-6-24-23-13-10-21(17-27(23)32-28(24)25)19-8-11-22(29)12-9-19/h5-18H,1-4H3/i18D.
What are the key properties of [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane?
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane has a molecular weight of 501.20 g/mol, XLogP of 8.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane is sourced from PubChem (CID 165170727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).