[3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane

C25H23F2GeN — CID 171764500

IUPAC[3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
SMILESCc1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3F)c(F)cn2)cc2ccccc12
InChIInChI=1S/C25H23F2GeN/c1-16-11-18(12-17-7-5-6-8-20(16)17)25-14-22(24(27)15-29-25)21-10-9-19(13-23(21)26)28(2,3)4/h5-15H,1-4H3
InChIKeyMKPUEMGGTDECMC-UHFFFAOYSA-N
MW448.07 g/mol
LogP6.70
Rot. Bonds3

About [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane

[3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane (PubChem CID 171764500) has the molecular formula C25H23F2GeN and a molecular weight of 448.07 g/mol. Its IUPAC name is [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane.

Molecular Properties

Compound Name[3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
PubChem CID171764500
Molecular FormulaC25H23F2GeN
Molecular Weight448.07 g/mol
Exact Mass449.10
IUPAC Name[3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
SMILESCc1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3F)c(F)cn2)cc2ccccc12
InChIInChI=1S/C25H23F2GeN/c1-16-11-18(12-17-7-5-6-8-20(16)17)25-14-22(24(27)15-29-25)21-10-9-19(13-23(21)26)28(2,3)4/h5-15H,1-4H3
InChIKeyMKPUEMGGTDECMC-UHFFFAOYSA-N
XLogP6.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.07
LogP ≤ 56.70
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-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764482
[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
CID 171764411
trimethyl-[3-methyl-4-[2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]phenyl]germane
CID 171764430
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
trimethyl-[[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]methyl]germane
CID 177122703
4-isoquinolin-3-yl-7-(4-methylnaphthalen-2-yl)-2,9-diphenyl-1,10-phenanthroline
CID 144839303
trimethyl-[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]silane
CID 177122701
[4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 171764468
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
1,3-dimethylnaphthalene;ethane
CID 145447624

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane?
The IUPAC name of [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane (CID 171764500) is [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane.
What is the SMILES notation for [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane?
The canonical SMILES for [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane is Cc1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3F)c(F)cn2)cc2ccccc12.
What is the InChIKey of [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane?
The InChIKey is MKPUEMGGTDECMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2GeN/c1-16-11-18(12-17-7-5-6-8-20(16)17)25-14-22(24(27)15-29-25)21-10-9-19(13-23(21)26)28(2,3)4/h5-15H,1-4H3.
What are the key properties of [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane?
[3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane has a molecular weight of 448.07 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[5-fluoro-2-(4-methylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane is sourced from PubChem (CID 171764500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).