[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone

C25H17NO4 — CID 146306172

IUPAC[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(C=Cc2ccc(-c3ccccc3)o2)ccc1[N+](=O)[O-]
InChIInChI=1S/C25H17NO4/c27-25(20-9-5-2-6-10-20)22-17-18(12-15-23(22)26(28)29)11-13-21-14-16-24(30-21)19-7-3-1-4-8-19/h1-17H
InChIKeyDAFBSKAYEUPBLM-UHFFFAOYSA-N
MW395.41 g/mol
LogP6.26
Rot. Bonds6

About [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone

[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone (PubChem CID 146306172) has the molecular formula C25H17NO4 and a molecular weight of 395.41 g/mol. Its IUPAC name is [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone
PubChem CID146306172
Molecular FormulaC25H17NO4
Molecular Weight395.41 g/mol
Exact Mass395.12
IUPAC Name[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(C=Cc2ccc(-c3ccccc3)o2)ccc1[N+](=O)[O-]
InChIInChI=1S/C25H17NO4/c27-25(20-9-5-2-6-10-20)22-17-18(12-15-23(22)26(28)29)11-13-21-14-16-24(30-21)19-7-3-1-4-8-19/h1-17H
InChIKeyDAFBSKAYEUPBLM-UHFFFAOYSA-N
XLogP6.26
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-2-(5-bromofuran-2-yl)ethenyl]-2-nitrophenyl]-phenylmethanone
CID 146306094
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
[5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone
CID 146306159
(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19561002
(E)-N-[2-benzoyl-4-[[(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 11227180
[2-nitro-5-[(E)-2-pyrrolidin-2-ylethenyl]phenyl]-phenylmethanone
CID 146306175
2-phenyl-5-[(Z)-2-(5-phenylfuran-2-yl)ethenyl]furan
CID 11381399
2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
CID 3292612
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methyl 2-nitro-5-[(E)-2-phenylethenyl]benzoate
CID 5383028
2-[2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 3276151
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337

Frequently Asked Questions

What is the IUPAC name of [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone?
The IUPAC name of [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone (CID 146306172) is [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(C=Cc2ccc(-c3ccccc3)o2)ccc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone?
The InChIKey is DAFBSKAYEUPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO4/c27-25(20-9-5-2-6-10-20)22-17-18(12-15-23(22)26(28)29)11-13-21-14-16-24(30-21)19-7-3-1-4-8-19/h1-17H.
What are the key properties of [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone?
[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone has a molecular weight of 395.41 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 146306172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).