1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine

C26H19NO — CID 102256917

IUPAC1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine
SMILESCOc1ccc(/C=N/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C26H19NO/c1-28-23-12-5-18(6-13-23)17-27-16-15-19-7-8-22-10-9-20-3-2-4-21-11-14-24(19)26(22)25(20)21/h2-17H,1H3/b16-15+,27-17+
InChIKeyPASBGJOCJZVWPG-NMRNIIGLSA-N
MW361.44 g/mol
LogP6.68
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine

1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine (PubChem CID 102256917) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine
PubChem CID102256917
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine
SMILESCOc1ccc(/C=N/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C26H19NO/c1-28-23-12-5-18(6-13-23)17-27-16-15-19-7-8-22-10-9-20-3-2-4-21-11-14-24(19)26(22)25(20)21/h2-17H,1H3/b16-15+,27-17+
InChIKeyPASBGJOCJZVWPG-NMRNIIGLSA-N
XLogP6.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine
CID 102256918
1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
CID 56647690
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
1-[2-(2-chlorophenyl)ethenyl]pyrene
CID 71329845
4-[(pyren-1-ylmethylidenehydrazinylidene)methyl]phenol
CID 137021592
(E)-3-pyren-1-ylprop-2-enal
CID 102183724
1-[(1E,6E)-7-pyren-1-ylhepta-1,6-dienyl]pyrene
CID 132511526
1-methoxy-2-(4-methoxyphenyl)pyrene
CID 174574739
(1-methylpyren-2-yl) 3-(4-methoxyphenyl)prop-2-enoate
CID 175124483
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
1,2-bis(4-methoxyphenyl)-3-methylpyrene
CID 172999756

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine (CID 102256917) is 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine is COc1ccc(/C=N/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine?
The InChIKey is PASBGJOCJZVWPG-NMRNIIGLSA-N. The full InChI is InChI=1S/C26H19NO/c1-28-23-12-5-18(6-13-23)17-27-16-15-19-7-8-22-10-9-20-3-2-4-21-11-14-24(19)26(22)25(20)21/h2-17H,1H3/b16-15+,27-17+.
What are the key properties of 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine?
1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine has a molecular weight of 361.44 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine is sourced from PubChem (CID 102256917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).