1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine

C28H23N3 — CID 18719145

IUPAC1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine
SMILESC/C(=N\c1cccc2ccccc12)c1ccc(/C=N/c2cccc3ccccc23)n1C
InChIInChI=1S/C28H23N3/c1-20(30-27-16-8-12-22-10-4-6-14-25(22)27)28-18-17-23(31(28)2)19-29-26-15-7-11-21-9-3-5-13-24(21)26/h3-19H,1-2H3/b29-19+,30-20+
InChIKeyLTFULKJZZIMUEP-CZYCKNNWSA-N
MW401.51 g/mol
LogP7.22
Rot. Bonds4

About 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine

1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine (PubChem CID 18719145) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine.

Molecular Properties

Compound Name1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine
PubChem CID18719145
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC Name1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine
SMILESC/C(=N\c1cccc2ccccc12)c1ccc(/C=N/c2cccc3ccccc23)n1C
InChIInChI=1S/C28H23N3/c1-20(30-27-16-8-12-22-10-4-6-14-25(22)27)28-18-17-23(31(28)2)19-29-26-15-7-11-21-9-3-5-13-24(21)26/h3-19H,1-2H3/b29-19+,30-20+
InChIKeyLTFULKJZZIMUEP-CZYCKNNWSA-N
XLogP7.22
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichloroiron(1+);N-naphthalen-1-yl-1-[5-(naphthalen-1-yliminomethyl)pyrrol-1-id-2-yl]ethanimine
CID 18719434
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine
CID 18718594
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine
CID 71397092
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine
CID 18718620
dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine
CID 20701769
3-[2-(naphthalen-1-yliminomethyl)pyrrol-1-yl]benzoic acid
CID 126115370
methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))
CID 139049394
N-naphthalen-1-ylpropanimidoyl chloride
CID 134896814
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine?
The IUPAC name of 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine (CID 18719145) is 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine.
What is the SMILES notation for 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine?
The canonical SMILES for 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine is C/C(=N\c1cccc2ccccc12)c1ccc(/C=N/c2cccc3ccccc23)n1C.
What is the InChIKey of 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine?
The InChIKey is LTFULKJZZIMUEP-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H23N3/c1-20(30-27-16-8-12-22-10-4-6-14-25(22)27)28-18-17-23(31(28)2)19-29-26-15-7-11-21-9-3-5-13-24(21)26/h3-19H,1-2H3/b29-19+,30-20+.
What are the key properties of 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine?
1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine has a molecular weight of 401.51 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine is sourced from PubChem (CID 18719145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).