N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine

C36H24N2O — CID 166509178

IUPACN-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine
SMILESC=Cc1ccc2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)o4)c4ccccc34)nc2c1N=C
InChIInChI=1S/C36H24N2O/c1-3-23-15-16-25-17-20-32(38-36(25)35(23)37-2)29-18-19-31(28-13-7-6-12-27(28)29)34-22-21-33(39-34)30-14-8-10-24-9-4-5-11-26(24)30/h3-22H,1-2H2
InChIKeyGVIQALWTFFAJPL-UHFFFAOYSA-N
MW500.60 g/mol
LogP10.11
Rot. Bonds5

About N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine

N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine (PubChem CID 166509178) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine.

Molecular Properties

Compound NameN-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine
PubChem CID166509178
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC NameN-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine
SMILESC=Cc1ccc2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)o4)c4ccccc34)nc2c1N=C
InChIInChI=1S/C36H24N2O/c1-3-23-15-16-25-17-20-32(38-36(25)35(23)37-2)29-18-19-31(28-13-7-6-12-27(28)29)34-22-21-33(39-34)30-14-8-10-24-9-4-5-11-26(24)30/h3-22H,1-2H2
InChIKeyGVIQALWTFFAJPL-UHFFFAOYSA-N
XLogP10.11
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 510.11
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

[4-[7-ethenyl-8-(methylideneamino)quinolin-2-yl]naphthalen-1-yl]boronic acid
CID 166509256
N-[2-[4-[4-deuterio-2,5-bis(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)furan-3-yl]naphthalen-1-yl]-7-ethenylquinolin-8-yl]methanimine
CID 166509349
2-[4-[4-(5-naphthalen-1-ylfuran-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166509123
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
2-[2,3,5,6,7,8-hexadeuterio-4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 166508995
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-(4-benzo[h]quinolin-2-ylphenyl)-9-pyren-1-yl-1,10-phenanthroline
CID 134167553
4-(5-naphthalen-1-ylfuran-2-yl)pyridine
CID 56932024
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098

Frequently Asked Questions

What is the IUPAC name of N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine?
The IUPAC name of N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine (CID 166509178) is N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine.
What is the SMILES notation for N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine?
The canonical SMILES for N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine is C=Cc1ccc2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)o4)c4ccccc34)nc2c1N=C.
What is the InChIKey of N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine?
The InChIKey is GVIQALWTFFAJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-3-23-15-16-25-17-20-32(38-36(25)35(23)37-2)29-18-19-31(28-13-7-6-12-27(28)29)34-22-21-33(39-34)30-14-8-10-24-9-4-5-11-26(24)30/h3-22H,1-2H2.
What are the key properties of N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine?
N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine has a molecular weight of 500.60 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-ethenyl-2-[4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]quinolin-8-yl]methanimine is sourced from PubChem (CID 166509178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).