4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine

C20H19N — CID 144604812

IUPAC4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine
SMILESC=C/C=C1\C(=C)C(C)(C)c2cc(-c3ccncc3)ccc21
InChIInChI=1S/C20H19N/c1-5-6-17-14(2)20(3,4)19-13-16(7-8-18(17)19)15-9-11-21-12-10-15/h5-13H,1-2H2,3-4H3/b17-6+
InChIKeyVETLHOBYVVDQEE-UBKPWBPPSA-N
MW273.38 g/mol
LogP5.17
Rot. Bonds2

About 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine

4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine (PubChem CID 144604812) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine.

Molecular Properties

Compound Name4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine
PubChem CID144604812
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine
SMILESC=C/C=C1\C(=C)C(C)(C)c2cc(-c3ccncc3)ccc21
InChIInChI=1S/C20H19N/c1-5-6-17-14(2)20(3,4)19-13-16(7-8-18(17)19)15-9-11-21-12-10-15/h5-13H,1-2H2,3-4H3/b17-6+
InChIKeyVETLHOBYVVDQEE-UBKPWBPPSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
CID 164785748
2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
CID 59027683
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)pyridine
CID 146495231
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 164989703
2-[2-(3,5-dipyridin-4-ylphenyl)-5,5,10,10-tetramethylindeno[2,1-a]inden-7-yl]quinoline
CID 90068471
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
CID 102359075
7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421622
3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine
CID 148908083

Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine?
The IUPAC name of 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine (CID 144604812) is 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine.
What is the SMILES notation for 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine?
The canonical SMILES for 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine is C=C/C=C1\C(=C)C(C)(C)c2cc(-c3ccncc3)ccc21.
What is the InChIKey of 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine?
The InChIKey is VETLHOBYVVDQEE-UBKPWBPPSA-N. The full InChI is InChI=1S/C20H19N/c1-5-6-17-14(2)20(3,4)19-13-16(7-8-18(17)19)15-9-11-21-12-10-15/h5-13H,1-2H2,3-4H3/b17-6+.
What are the key properties of 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine?
4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine has a molecular weight of 273.38 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine is sourced from PubChem (CID 144604812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).