4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide

C68H61N3 — CID 146385005

IUPAC4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide
SMILESC=C/C(=N\C(=N/Cc1ccc2ccccc2c1)c1ccc(C(C)(C)c2ccc(C(CCC)/N=C(\C=C(/C)c3ccc4ccccc4c3)c3ccc4c(c3)C=CCC4)cc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C68H61N3/c1-6-16-65(70-66(61-32-29-52-20-11-15-24-59(52)45-61)41-47(3)55-30-27-50-18-9-13-22-57(50)43-55)53-33-37-62(38-34-53)68(4,5)63-39-35-54(36-40-63)67(69-46-48-25-26-49-17-8-12-21-56(49)42-48)71-64(7-2)60-31-28-51-19-10-14-23-58(51)44-60/h7-10,12-15,17-19,21-45,65H,2,6,11,16,20,46H2,1,3-5H3/b47-41+,69-67-,70-66+,71-64+
InChIKeyLDQYRSDDLVGFHG-IPEKBUGUSA-N
MW920.26 g/mol
LogP17.49
Rot. Bonds14

About 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide

4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide (PubChem CID 146385005) has the molecular formula C68H61N3 and a molecular weight of 920.26 g/mol. Its IUPAC name is 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide
PubChem CID146385005
Molecular FormulaC68H61N3
Molecular Weight920.26 g/mol
Exact Mass919.49
IUPAC Name4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide
SMILESC=C/C(=N\C(=N/Cc1ccc2ccccc2c1)c1ccc(C(C)(C)c2ccc(C(CCC)/N=C(\C=C(/C)c3ccc4ccccc4c3)c3ccc4c(c3)C=CCC4)cc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C68H61N3/c1-6-16-65(70-66(61-32-29-52-20-11-15-24-59(52)45-61)41-47(3)55-30-27-50-18-9-13-22-57(50)43-55)53-33-37-62(38-34-53)68(4,5)63-39-35-54(36-40-63)67(69-46-48-25-26-49-17-8-12-21-56(49)42-48)71-64(7-2)60-31-28-51-19-10-14-23-58(51)44-60/h7-10,12-15,17-19,21-45,65H,2,6,11,16,20,46H2,1,3-5H3/b47-41+,69-67-,70-66+,71-64+
InChIKeyLDQYRSDDLVGFHG-IPEKBUGUSA-N
XLogP17.49
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.26
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide with MolForge

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Related Compounds

N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 146384900
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
CID 18333903
6-(2-methylpropyl)-1,2-dihydroanthracene
CID 141269384
N-benzyl-1-naphthalen-2-ylethanimine
CID 2731696
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
N'-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]ethenyl]-N-[1-[4-(1,10-phenanthrolin-4-yl)phenyl]prop-2-enylidene]-7,8-dihydronaphthalene-2-carboximidamide
CID 155085162
(Z)-N-benzyl-N'-methylidene-1-(3-phenylphenyl)-3-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]propan-2-yl]phenyl]prop-2-ene-1,3-diimine
CID 145073369
[(2R,3R)-2-bromo-3-(5,6-dihydronaphthalene-2-carbonyloxy)-5-oxopentyl] naphthalene-2-carboxylate
CID 144905677
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene
CID 144871928
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
The IUPAC name of 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide (CID 146385005) is 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide.
What is the SMILES notation for 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
The canonical SMILES for 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide is C=C/C(=N\C(=N/Cc1ccc2ccccc2c1)c1ccc(C(C)(C)c2ccc(C(CCC)/N=C(\C=C(/C)c3ccc4ccccc4c3)c3ccc4c(c3)C=CCC4)cc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
The InChIKey is LDQYRSDDLVGFHG-IPEKBUGUSA-N. The full InChI is InChI=1S/C68H61N3/c1-6-16-65(70-66(61-32-29-52-20-11-15-24-59(52)45-61)41-47(3)55-30-27-50-18-9-13-22-57(50)43-55)53-33-37-62(38-34-53)68(4,5)63-39-35-54(36-40-63)67(69-46-48-25-26-49-17-8-12-21-56(49)42-48)71-64(7-2)60-31-28-51-19-10-14-23-58(51)44-60/h7-10,12-15,17-19,21-45,65H,2,6,11,16,20,46H2,1,3-5H3/b47-41+,69-67-,70-66+,71-64+.
What are the key properties of 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide has a molecular weight of 920.26 g/mol, XLogP of 17.49, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-[[(E)-1-(5,6-dihydronaphthalen-2-yl)-3-naphthalen-2-ylbut-2-enylidene]amino]butyl]phenyl]propan-2-yl]-N'-(naphthalen-2-ylmethyl)-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide is sourced from PubChem (CID 146385005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).