1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine

C29H25N3 — CID 18718620

IUPAC1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1ccc(/C(C)=N/c2c3ccccc3cc3ccccc23)n1C
InChIInChI=1S/C29H25N3/c1-20(30-24-13-5-4-6-14-24)27-17-18-28(32(27)3)21(2)31-29-25-15-9-7-11-22(25)19-23-12-8-10-16-26(23)29/h4-19H,1-3H3/b30-20+,31-21+
InChIKeyLGETZRGUEYXPBV-OQIGUVFWSA-N
MW415.54 g/mol
LogP7.61
Rot. Bonds4

About 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine

1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine (PubChem CID 18718620) has the molecular formula C29H25N3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine.

Molecular Properties

Compound Name1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine
PubChem CID18718620
Molecular FormulaC29H25N3
Molecular Weight415.54 g/mol
Exact Mass415.20
IUPAC Name1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1ccc(/C(C)=N/c2c3ccccc3cc3ccccc23)n1C
InChIInChI=1S/C29H25N3/c1-20(30-24-13-5-4-6-14-24)27-17-18-28(32(27)3)21(2)31-29-25-15-9-7-11-22(25)19-23-12-8-10-16-26(23)29/h4-19H,1-3H3/b30-20+,31-21+
InChIKeyLGETZRGUEYXPBV-OQIGUVFWSA-N
XLogP7.61
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine;dichloroiron
CID 18719236
N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 89292539
1-[4-chloro-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;vanadium;trichloride
CID 173243751
dichloroiron;N-(2,6-dichlorophenyl)-1-[5-[N-(2,6-dichlorophenyl)-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 24940390
1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine
CID 18719145
1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine
CID 90442429
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine
CID 18718594
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine;dichloroiron
CID 20701711
(E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine
CID 18718784
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
CID 173244518

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine?
The IUPAC name of 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine (CID 18718620) is 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine.
What is the SMILES notation for 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine?
The canonical SMILES for 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine is C/C(=N\c1ccccc1)c1ccc(/C(C)=N/c2c3ccccc3cc3ccccc23)n1C.
What is the InChIKey of 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine?
The InChIKey is LGETZRGUEYXPBV-OQIGUVFWSA-N. The full InChI is InChI=1S/C29H25N3/c1-20(30-24-13-5-4-6-14-24)27-17-18-28(32(27)3)21(2)31-29-25-15-9-7-11-22(25)19-23-12-8-10-16-26(23)29/h4-19H,1-3H3/b30-20+,31-21+.
What are the key properties of 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine?
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine has a molecular weight of 415.54 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine is sourced from PubChem (CID 18718620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).