5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole

C26H18N4O2 — CID 141062599

IUPAC5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole
SMILESc1ccc(-c2c(OCc3nn[nH]n3)ccc3cc(-c4cc5ccccc5o4)ccc23)cc1
InChIInChI=1S/C26H18N4O2/c1-2-6-17(7-3-1)26-21-12-10-20(24-15-19-8-4-5-9-22(19)32-24)14-18(21)11-13-23(26)31-16-25-27-29-30-28-25/h1-15H,16H2,(H,27,28,29,30)
InChIKeyVPNBWGDAJIVKON-UHFFFAOYSA-N
MW418.46 g/mol
LogP6.01
Rot. Bonds5

About 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole

5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole (PubChem CID 141062599) has the molecular formula C26H18N4O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole
PubChem CID141062599
Molecular FormulaC26H18N4O2
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC Name5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole
SMILESc1ccc(-c2c(OCc3nn[nH]n3)ccc3cc(-c4cc5ccccc5o4)ccc23)cc1
InChIInChI=1S/C26H18N4O2/c1-2-6-17(7-3-1)26-21-12-10-20(24-15-19-8-4-5-9-22(19)32-24)14-18(21)11-13-23(26)31-16-25-27-29-30-28-25/h1-15H,16H2,(H,27,28,29,30)
InChIKeyVPNBWGDAJIVKON-UHFFFAOYSA-N
XLogP6.01
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 10143235
5-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-(2-butyl-1-benzofuran-3-yl)-1,3-oxazole
CID 11599173
5-[[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxymethyl]-2H-tetrazole
CID 141114513
2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 146183362
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-benzofuran;bis(2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran);2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran
CID 157111985
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 170400610
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
2-(1-benzofuran-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183628
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
N-[3-(1-benzofuran-2-yl)phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402033
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402177
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402227

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole?
The IUPAC name of 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole (CID 141062599) is 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole.
What is the SMILES notation for 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole?
The canonical SMILES for 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole is c1ccc(-c2c(OCc3nn[nH]n3)ccc3cc(-c4cc5ccccc5o4)ccc23)cc1.
What is the InChIKey of 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole?
The InChIKey is VPNBWGDAJIVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2/c1-2-6-17(7-3-1)26-21-12-10-20(24-15-19-8-4-5-9-22(19)32-24)14-18(21)11-13-23(26)31-16-25-27-29-30-28-25/h1-15H,16H2,(H,27,28,29,30).
What are the key properties of 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole?
5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole has a molecular weight of 418.46 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxymethyl]-2H-tetrazole is sourced from PubChem (CID 141062599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).