(E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine

C21H19N — CID 140662392

IUPAC(E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine
SMILES[H]/N=C(\C=C\C/C=C1/C=CC=CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N/c22-21(13-7-4-10-17-8-2-1-3-9-17)20-15-14-18-11-5-6-12-19(18)16-20/h1-3,5-8,10-16,22H,4,9H2/b13-7+,17-10-,22-21+
InChIKeyIWKDZTXLPOPMSD-NFENUYDPSA-N
MW285.39 g/mol
LogP5.60
Rot. Bonds4

About (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine

(E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine (PubChem CID 140662392) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine
PubChem CID140662392
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name(E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine
SMILES[H]/N=C(\C=C\C/C=C1/C=CC=CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N/c22-21(13-7-4-10-17-8-2-1-3-9-17)20-15-14-18-11-5-6-12-19(18)16-20/h1-3,5-8,10-16,22H,4,9H2/b13-7+,17-10-,22-21+
InChIKeyIWKDZTXLPOPMSD-NFENUYDPSA-N
XLogP5.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine
CID 154033384
2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene
CID 140590775
(Z)-1,4-diphenylbut-2-en-1-imine;ethane
CID 145272751
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
CID 144856655
2-[cyclopenta-2,4-dien-1-ylidene(naphthalen-2-yl)methyl]naphthalene
CID 86623197
(2-methylphenyl)-naphthalen-2-ylmethanimine
CID 44721075
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
(E)-4-naphthalen-2-ylbut-2-enoic acid
CID 11789094
trimethyl-[(Z)-1-naphthalen-2-ylprop-1-enoxy]silane
CID 102386062
methyl (E)-4-naphthalen-2-ylbut-2-enoate
CID 59030798
(Z)-1-naphthalen-2-ylprop-1-en-1-amine
CID 21343656

Frequently Asked Questions

What is the IUPAC name of (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine?
The IUPAC name of (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine (CID 140662392) is (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine.
What is the SMILES notation for (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine?
The canonical SMILES for (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine is [H]/N=C(\C=C\C/C=C1/C=CC=CC1)c1ccc2ccccc2c1.
What is the InChIKey of (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine?
The InChIKey is IWKDZTXLPOPMSD-NFENUYDPSA-N. The full InChI is InChI=1S/C21H19N/c22-21(13-7-4-10-17-8-2-1-3-9-17)20-15-14-18-11-5-6-12-19(18)16-20/h1-3,5-8,10-16,22H,4,9H2/b13-7+,17-10-,22-21+.
What are the key properties of (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine?
(E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine has a molecular weight of 285.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine is sourced from PubChem (CID 140662392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).