4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide

C54H36N2O — CID 170297602

IUPAC4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide
SMILESC=C/C(=N\C(=N/C(=C)c1cccc2oc3c(-c4cccc5ccccc45)cccc3c12)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C54H36N2O/c1-3-50(44-32-28-37-14-5-7-17-42(37)34-44)56-54(40-29-25-38(26-30-40)43-31-27-36-13-4-6-16-41(36)33-43)55-35(2)45-20-12-24-51-52(45)49-23-11-22-48(53(49)57-51)47-21-10-18-39-15-8-9-19-46(39)47/h3-34H,1-2H2/b55-54-,56-50+
InChIKeyFUXQAYHLHXALIP-HIYBEFEXSA-N
MW728.90 g/mol
LogP14.47
Rot. Bonds7

About 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide

4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide (PubChem CID 170297602) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide.

Molecular Properties

Compound Name4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide
PubChem CID170297602
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide
SMILESC=C/C(=N\C(=N/C(=C)c1cccc2oc3c(-c4cccc5ccccc45)cccc3c12)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C54H36N2O/c1-3-50(44-32-28-37-14-5-7-17-42(37)34-44)56-54(40-29-25-38(26-30-40)43-31-27-36-13-4-6-16-41(36)33-43)55-35(2)45-20-12-24-51-52(45)49-23-11-22-48(53(49)57-51)47-21-10-18-39-15-8-9-19-46(39)47/h3-34H,1-2H2/b55-54-,56-50+
InChIKeyFUXQAYHLHXALIP-HIYBEFEXSA-N
XLogP14.47
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.47
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'}

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Related Compounds

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617093
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481
(E)-3-phenyl-N-(1-phenylethenyl)-1-[6-(3-phenylphenyl)dibenzofuran-1-yl]but-2-en-1-imine
CID 139418385
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-N-methylidene-4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-carboximidamide
CID 170423096
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176818688
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743611

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
The IUPAC name of 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide (CID 170297602) is 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide.
What is the SMILES notation for 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
The canonical SMILES for 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide is C=C/C(=N\C(=N/C(=C)c1cccc2oc3c(-c4cccc5ccccc45)cccc3c12)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
The InChIKey is FUXQAYHLHXALIP-HIYBEFEXSA-N. The full InChI is InChI=1S/C54H36N2O/c1-3-50(44-32-28-37-14-5-7-17-42(37)34-44)56-54(40-29-25-38(26-30-40)43-31-27-36-13-4-6-16-41(36)33-43)55-35(2)45-20-12-24-51-52(45)49-23-11-22-48(53(49)57-51)47-21-10-18-39-15-8-9-19-46(39)47/h3-34H,1-2H2/b55-54-,56-50+.
What are the key properties of 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide?
4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide has a molecular weight of 728.90 g/mol, XLogP of 14.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide is sourced from PubChem (CID 170297602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).