4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine

C21H19N — CID 142814960

IUPAC4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine
SMILESNC1C=CC=C(/C=C/c2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C21H19N/c22-21-8-4-5-17(13-16-21)9-10-18-11-14-20(15-12-18)19-6-2-1-3-7-19/h1-16,21H,22H2/b10-9+
InChIKeyIDYUTUMCUZOYMJ-MDZDMXLPSA-N
MW285.39 g/mol
LogP4.75
Rot. Bonds3

About 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine

4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine (PubChem CID 142814960) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine
PubChem CID142814960
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine
SMILESNC1C=CC=C(/C=C/c2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C21H19N/c22-21-8-4-5-17(13-16-21)9-10-18-11-14-20(15-12-18)19-6-2-1-3-7-19/h1-16,21H,22H2/b10-9+
InChIKeyIDYUTUMCUZOYMJ-MDZDMXLPSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 143367130
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
2-[4-[(E)-2-(4-phenylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 11645116
1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
CID 175734121
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
(E)-4-(4-phenylphenyl)but-3-en-2-amine
CID 83350140
tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane
CID 59742138

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine (CID 142814960) is 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine is NC1C=CC=C(/C=C/c2ccc(-c3ccccc3)cc2)C=C1.
What is the InChIKey of 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine?
The InChIKey is IDYUTUMCUZOYMJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H19N/c22-21-8-4-5-17(13-16-21)9-10-18-11-14-20(15-12-18)19-6-2-1-3-7-19/h1-16,21H,22H2/b10-9+.
What are the key properties of 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine?
4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine has a molecular weight of 285.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-phenylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 142814960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).