N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine

C26H19NO — CID 102256918

IUPACN-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine
SMILESCOc1ccc(/C=C/N=C/c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C26H19NO/c1-28-23-12-8-18(9-13-23)14-15-27-17-22-16-21-6-2-4-19-10-11-20-5-3-7-24(22)26(20)25(19)21/h2-17H,1H3/b15-14+,27-17+
InChIKeyWFEOFDHICGTMGC-CMYLIFIRSA-N
MW361.44 g/mol
LogP6.68
Rot. Bonds4

About N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine

N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine (PubChem CID 102256918) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine.

Molecular Properties

Compound NameN-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine
PubChem CID102256918
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC NameN-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine
SMILESCOc1ccc(/C=C/N=C/c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C26H19NO/c1-28-23-12-8-18(9-13-23)14-15-27-17-22-16-21-6-2-4-19-10-11-20-5-3-7-24(22)26(20)25(19)21/h2-17H,1H3/b15-14+,27-17+
InChIKeyWFEOFDHICGTMGC-CMYLIFIRSA-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

1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine
CID 102256917
N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
(1-methylpyren-2-yl) 3-(4-methoxyphenyl)prop-2-enoate
CID 175124483
1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
CID 56647690
4-[(E)-but-1-enyl]pyrene
CID 157335198
1-methoxy-2-(4-methoxyphenyl)pyrene
CID 174574739
N-phenyl-N-(pyren-4-ylmethylideneamino)aniline
CID 59963659
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
N-(4-bromophenyl)-1-pyren-4-ylmethanimine
CID 86256173
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
3-methoxychrysene-5-carbaldehyde
CID 25194479
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine?
The IUPAC name of N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine (CID 102256918) is N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine.
What is the SMILES notation for N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine?
The canonical SMILES for N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine is COc1ccc(/C=C/N=C/c2cc3cccc4ccc5cccc2c5c43)cc1.
What is the InChIKey of N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine?
The InChIKey is WFEOFDHICGTMGC-CMYLIFIRSA-N. The full InChI is InChI=1S/C26H19NO/c1-28-23-12-8-18(9-13-23)14-15-27-17-22-16-21-6-2-4-19-10-11-20-5-3-7-24(22)26(20)25(19)21/h2-17H,1H3/b15-14+,27-17+.
What are the key properties of N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine?
N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine 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 N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine is sourced from PubChem (CID 102256918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).