[3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane

C28H27F4GeN — CID 171764482

IUPAC[3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane
SMILESCC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3F)c(C(F)(F)F)cn2)cc2ccccc12
InChIInChI=1S/C28H27F4GeN/c1-17(2)23-13-19(12-18-8-6-7-9-21(18)23)27-15-24(25(16-34-27)28(30,31)32)22-11-10-20(14-26(22)29)33(3,4)5/h6-17H,1-5H3
InChIKeyQKRQZLHGSSMFSY-UHFFFAOYSA-N
MW526.13 g/mol
LogP8.40
Rot. Bonds4

About [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane

[3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane (PubChem CID 171764482) has the molecular formula C28H27F4GeN and a molecular weight of 526.13 g/mol. Its IUPAC name is [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane.

Molecular Properties

Compound Name[3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane
PubChem CID171764482
Molecular FormulaC28H27F4GeN
Molecular Weight526.13 g/mol
Exact Mass527.13
IUPAC Name[3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane
SMILESCC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3F)c(C(F)(F)F)cn2)cc2ccccc12
InChIInChI=1S/C28H27F4GeN/c1-17(2)23-13-19(12-18-8-6-7-9-21(18)23)27-15-24(25(16-34-27)28(30,31)32)22-11-10-20(14-26(22)29)33(3,4)5/h6-17H,1-5H3
InChIKeyQKRQZLHGSSMFSY-UHFFFAOYSA-N
XLogP8.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.13
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-fluorophenyl]-trimethylgermane
CID 171764447
[3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764500
trimethyl-[3-methyl-4-[2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]phenyl]germane
CID 171764430
trimethyl-[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]silane
CID 177122701
trimethyl-[[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]methyl]germane
CID 177122703
[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
CID 171764411
8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450405
2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450161
3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline
CID 141120013
[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
CID 170533908
2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;methane;(4-phenylphenyl)boronic acid
CID 164958549
5,5-dimethyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzogermolo[3,2-c]pyridine
CID 172528387

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane?
The IUPAC name of [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane (CID 171764482) is [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane.
What is the SMILES notation for [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane?
The canonical SMILES for [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane is CC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3F)c(C(F)(F)F)cn2)cc2ccccc12.
What is the InChIKey of [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane?
The InChIKey is QKRQZLHGSSMFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4GeN/c1-17(2)23-13-19(12-18-8-6-7-9-21(18)23)27-15-24(25(16-34-27)28(30,31)32)22-11-10-20(14-26(22)29)33(3,4)5/h6-17H,1-5H3.
What are the key properties of [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane?
[3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane has a molecular weight of 526.13 g/mol, XLogP of 8.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane is sourced from PubChem (CID 171764482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).