4-benzhydrylpyridine;ethane

C22H27N — CID 90843990

IUPAC4-benzhydrylpyridine;ethane
SMILESCC.CC.c1ccc(C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C18H15N.2C2H6/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;2*1-2/h1-14,18H;2*1-2H3
InChIKeyLBUZHLBEGKIYLZ-UHFFFAOYSA-N
MW305.47 g/mol
LogP6.31
Rot. Bonds3

About 4-benzhydrylpyridine;ethane

4-benzhydrylpyridine;ethane (PubChem CID 90843990) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-benzhydrylpyridine;ethane.

Molecular Properties

Compound Name4-benzhydrylpyridine;ethane
PubChem CID90843990
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name4-benzhydrylpyridine;ethane
SMILESCC.CC.c1ccc(C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C18H15N.2C2H6/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;2*1-2/h1-14,18H;2*1-2H3
InChIKeyLBUZHLBEGKIYLZ-UHFFFAOYSA-N
XLogP6.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
4-[bromo(phenyl)methyl]pyridine
CID 43608201
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
trimethyl-(2-phenyl-2-pyridin-4-ylethyl)silane
CID 132534673
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
4-[methylsulfonyl(phenyl)methyl]pyridine
CID 11543303
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
cumene;ethane;bis(2-methylpropane);pyrazine;pyridine
CID 160911443
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylpyridine;ethane?
The IUPAC name of 4-benzhydrylpyridine;ethane (CID 90843990) is 4-benzhydrylpyridine;ethane.
What is the SMILES notation for 4-benzhydrylpyridine;ethane?
The canonical SMILES for 4-benzhydrylpyridine;ethane is CC.CC.c1ccc(C(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 4-benzhydrylpyridine;ethane?
The InChIKey is LBUZHLBEGKIYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.2C2H6/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;2*1-2/h1-14,18H;2*1-2H3.
What are the key properties of 4-benzhydrylpyridine;ethane?
4-benzhydrylpyridine;ethane has a molecular weight of 305.47 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylpyridine;ethane is sourced from PubChem (CID 90843990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).