1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

C56H42N4 — CID 25215046

IUPAC1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESCc1cc(C)cc(-c2cc(/C=N/c3ccc4ccccc4c3-c3c(/N=C/c4cc(-c5cc(C)cc(C)c5)c5ccccc5n4)ccc4ccccc34)nc3ccccc23)c1
InChIInChI=1S/C56H42N4/c1-35-25-36(2)28-41(27-35)49-31-43(59-51-19-11-9-17-47(49)51)33-57-53-23-21-39-13-5-7-15-45(39)55(53)56-46-16-8-6-14-40(46)22-24-54(56)58-34-44-32-50(42-29-37(3)26-38(4)30-42)48-18-10-12-20-52(48)60-44/h5-34H,1-4H3/b57-33+,58-34+
InChIKeyFLKKLJARRYWRIE-ZPXPFAEMSA-N
MW770.98 g/mol
LogP14.83
Rot. Bonds7

About 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (PubChem CID 25215046) has the molecular formula C56H42N4 and a molecular weight of 770.98 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
PubChem CID25215046
Molecular FormulaC56H42N4
Molecular Weight770.98 g/mol
Exact Mass770.34
IUPAC Name1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESCc1cc(C)cc(-c2cc(/C=N/c3ccc4ccccc4c3-c3c(/N=C/c4cc(-c5cc(C)cc(C)c5)c5ccccc5n4)ccc4ccccc34)nc3ccccc23)c1
InChIInChI=1S/C56H42N4/c1-35-25-36(2)28-41(27-35)49-31-43(59-51-19-11-9-17-47(49)51)33-57-53-23-21-39-13-5-7-15-45(39)55(53)56-46-16-8-6-14-40(46)22-24-54(56)58-34-44-32-50(42-29-37(3)26-38(4)30-42)48-18-10-12-20-52(48)60-44/h5-34H,1-4H3/b57-33+,58-34+
InChIKeyFLKKLJARRYWRIE-ZPXPFAEMSA-N
XLogP14.83
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 101264651
N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane
CID 142035984
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
CID 136845962
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
bis(dimethylazanide);bis(N-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-1-pyrrol-1-id-2-ylmethanimine);toluene;zirconium(4+)
CID 139151226
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol
CID 135735822
1-(3,5-dimethylphenyl)perylene
CID 20517158
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11114666

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (CID 25215046) is 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is Cc1cc(C)cc(-c2cc(/C=N/c3ccc4ccccc4c3-c3c(/N=C/c4cc(-c5cc(C)cc(C)c5)c5ccccc5n4)ccc4ccccc34)nc3ccccc23)c1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The InChIKey is FLKKLJARRYWRIE-ZPXPFAEMSA-N. The full InChI is InChI=1S/C56H42N4/c1-35-25-36(2)28-41(27-35)49-31-43(59-51-19-11-9-17-47(49)51)33-57-53-23-21-39-13-5-7-15-45(39)55(53)56-46-16-8-6-14-40(46)22-24-54(56)58-34-44-32-50(42-29-37(3)26-38(4)30-42)48-18-10-12-20-52(48)60-44/h5-34H,1-4H3/b57-33+,58-34+.
What are the key properties of 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine has a molecular weight of 770.98 g/mol, XLogP of 14.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)quinolin-2-yl]-N-[1-[2-[[4-(3,5-dimethylphenyl)quinolin-2-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 25215046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).