N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine

C21H21N — CID 126695170

IUPACN-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine
SMILESC=C/C=C\C=C(C=C)\C(C=C)=C\N=C(/C=C)c1ccccc1
InChIInChI=1S/C21H21N/c1-5-9-11-14-18(6-2)19(7-3)17-22-21(8-4)20-15-12-10-13-16-20/h5-17H,1-4H2/b11-9-,18-14+,19-17+,22-21+
InChIKeyWUMGSJBTEJBKHG-YEYQRFRWSA-N
MW287.41 g/mol
LogP5.59
Rot. Bonds8

About N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine

N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine (PubChem CID 126695170) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine
PubChem CID126695170
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine
SMILESC=C/C=C\C=C(C=C)\C(C=C)=C\N=C(/C=C)c1ccccc1
InChIInChI=1S/C21H21N/c1-5-9-11-14-18(6-2)19(7-3)17-22-21(8-4)20-15-12-10-13-16-20/h5-17H,1-4H2/b11-9-,18-14+,19-17+,22-21+
InChIKeyWUMGSJBTEJBKHG-YEYQRFRWSA-N
XLogP5.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
N-[(E)-1-phenylprop-2-enylideneamino]methanamine
CID 144603752
(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione
CID 146535524
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
(1Z,3E,5Z)-3-ethenyl-1-phenylhepta-1,3,5-triene-1,2-dithiol
CID 145408406
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-iodoaniline
CID 170206355
(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
CID 129259251
[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene
CID 134299911
N-[(Z)-pent-2-en-3-yl]-1-phenylprop-2-en-1-imine
CID 142217148
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
(Z)-N-ethenyl-1-phenylbut-2-en-1-imine
CID 130193571
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine?
The IUPAC name of N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine (CID 126695170) is N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine.
What is the SMILES notation for N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine?
The canonical SMILES for N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine is C=C/C=C\C=C(C=C)\C(C=C)=C\N=C(/C=C)c1ccccc1.
What is the InChIKey of N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine?
The InChIKey is WUMGSJBTEJBKHG-YEYQRFRWSA-N. The full InChI is InChI=1S/C21H21N/c1-5-9-11-14-18(6-2)19(7-3)17-22-21(8-4)20-15-12-10-13-16-20/h5-17H,1-4H2/b11-9-,18-14+,19-17+,22-21+.
What are the key properties of N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine?
N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine has a molecular weight of 287.41 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5Z)-2,3-bis(ethenyl)octa-1,3,5,7-tetraenyl]-1-phenylprop-2-en-1-imine is sourced from PubChem (CID 126695170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).