tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane

C25H8F15GeN — CID 134820839

IUPACtris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane
SMILESFc1c(F)c(F)c([Ge](CCc2ccncc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C25H8F15GeN/c26-8-11(29)17(35)23(18(36)12(8)30)41(4-1-7-2-5-42-6-3-7,24-19(37)13(31)9(27)14(32)20(24)38)25-21(39)15(33)10(28)16(34)22(25)40/h2-3,5-6H,1,4H2
InChIKeyGKZRKEQRAQCNBW-UHFFFAOYSA-N
MW679.93 g/mol
LogP5.88
Rot. Bonds6

About tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane

tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane (PubChem CID 134820839) has the molecular formula C25H8F15GeN and a molecular weight of 679.93 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane
PubChem CID134820839
Molecular FormulaC25H8F15GeN
Molecular Weight679.93 g/mol
Exact Mass680.96
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane
SMILESFc1c(F)c(F)c([Ge](CCc2ccncc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C25H8F15GeN/c26-8-11(29)17(35)23(18(36)12(8)30)41(4-1-7-2-5-42-6-3-7,24-19(37)13(31)9(27)14(32)20(24)38)25-21(39)15(33)10(28)16(34)22(25)40/h2-3,5-6H,1,4H2
InChIKeyGKZRKEQRAQCNBW-UHFFFAOYSA-N
XLogP5.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.93
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Phenylpyridine
CID 13651
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
4-Styrylpyridine
CID 641098
3-Benzhydrylpyridine
CID 77251
2-Pyridyldiphenylphosphine
CID 621893
4-Benzhydrylpyridine
CID 77252
Benzylviologen
CID 14196
4-(Difluoromethyl)pyridine
CID 640476
3-Benzylpyridine
CID 12112
4-(2,2-Diphenylethenyl)pyridine
CID 4594970
(4-Pyridylmethylene)tetrahydronaphthalene 4a
CID 6539787

Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane (CID 134820839) is tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane is Fc1c(F)c(F)c([Ge](CCc2ccncc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane?
The InChIKey is GKZRKEQRAQCNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H8F15GeN/c26-8-11(29)17(35)23(18(36)12(8)30)41(4-1-7-2-5-42-6-3-7,24-19(37)13(31)9(27)14(32)20(24)38)25-21(39)15(33)10(28)16(34)22(25)40/h2-3,5-6H,1,4H2.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane?
tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane has a molecular weight of 679.93 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-(2-pyridin-4-ylethyl)germane is sourced from PubChem (CID 134820839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).