(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate

C23H15NO5 — CID 134835808

IUPAC(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1O[N+](=O)[O-]
InChIInChI=1S/C23H15NO5/c25-20(16-10-4-1-5-11-16)19-21(17-12-6-2-7-13-17)28-22(23(19)29-24(26)27)18-14-8-3-9-15-18/h1-15H
InChIKeyLIVXEEJFKBRWTL-UHFFFAOYSA-N
MW385.38 g/mol
LogP5.42
Rot. Bonds6

About (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate

(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate (PubChem CID 134835808) has the molecular formula C23H15NO5 and a molecular weight of 385.38 g/mol. Its IUPAC name is (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate.

Molecular Properties

Compound Name(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
PubChem CID134835808
Molecular FormulaC23H15NO5
Molecular Weight385.38 g/mol
Exact Mass385.10
IUPAC Name(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1O[N+](=O)[O-]
InChIInChI=1S/C23H15NO5/c25-20(16-10-4-1-5-11-16)19-21(17-12-6-2-7-13-17)28-22(23(19)29-24(26)27)18-14-8-3-9-15-18/h1-15H
InChIKeyLIVXEEJFKBRWTL-UHFFFAOYSA-N
XLogP5.42
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
CID 175684502
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
CID 13010524
[4-(2,2-diphenylethenyl)-5-methyl-2-phenylfuran-3-yl]-phenylmethanone
CID 71489456
3-benzoyl-4-phenylchromen-2-one
CID 629843
3-benzoylcyclohepta[b]furan-2-one
CID 139790791
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
CID 132567633
(2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone
CID 134100012
(3-benzoyl-2-methyl-4,6-dinitro-1-benzofuran-5-yl) acetate
CID 1418956
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate?
The IUPAC name of (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate (CID 134835808) is (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate.
What is the SMILES notation for (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate?
The canonical SMILES for (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate is O=C(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1O[N+](=O)[O-].
What is the InChIKey of (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate?
The InChIKey is LIVXEEJFKBRWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO5/c25-20(16-10-4-1-5-11-16)19-21(17-12-6-2-7-13-17)28-22(23(19)29-24(26)27)18-14-8-3-9-15-18/h1-15H.
What are the key properties of (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate?
(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate has a molecular weight of 385.38 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-2,5-diphenylfuran-3-yl) nitrate is sourced from PubChem (CID 134835808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).