[4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene

C24H17N3O3 — CID 50883691

IUPAC[4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene
SMILESO=[N+]([O-])/C(=C\c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)o1)c1ccccc1
InChIInChI=1S/C24H17N3O3/c28-27(29)23(18-7-3-1-4-8-18)17-22-15-16-24(30-22)19-11-13-21(14-12-19)26-25-20-9-5-2-6-10-20/h1-17H/b23-17-,26-25+
InChIKeyXXNOWMKXGJGVDL-CGINZGNNSA-N
MW395.42 g/mol
LogP7.14
Rot. Bonds6

About [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene

[4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene (PubChem CID 50883691) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene.

Molecular Properties

Compound Name[4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene
PubChem CID50883691
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name[4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene
SMILESO=[N+]([O-])/C(=C\c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)o1)c1ccccc1
InChIInChI=1S/C24H17N3O3/c28-27(29)23(18-7-3-1-4-8-18)17-22-15-16-24(30-22)19-11-13-21(14-12-19)26-25-20-9-5-2-6-10-20/h1-17H/b23-17-,26-25+
InChIKeyXXNOWMKXGJGVDL-CGINZGNNSA-N
XLogP7.14
TPSA81.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan
CID 2911165
[(Z)-2-nitro-2-phenylethenyl]benzene
CID 2818500
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 3704591
2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
CID 2193450
2-(2-nitro-2-thiophen-2-ylethenyl)-5-thiophen-2-ylfuran
CID 71427186
(Z)-3-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839854
4-(2-nitro-2-phenylethenyl)aniline
CID 54368133
3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one
CID 3992867
(2Z)-2-[[5-(4-phenyldiazenylphenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 50883720
5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135413275
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene?
The IUPAC name of [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene (CID 50883691) is [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene.
What is the SMILES notation for [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene?
The canonical SMILES for [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene is O=[N+]([O-])/C(=C\c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)o1)c1ccccc1.
What is the InChIKey of [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene?
The InChIKey is XXNOWMKXGJGVDL-CGINZGNNSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-27(29)23(18-7-3-1-4-8-18)17-22-15-16-24(30-22)19-11-13-21(14-12-19)26-25-20-9-5-2-6-10-20/h1-17H/b23-17-,26-25+.
What are the key properties of [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene?
[4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene has a molecular weight of 395.42 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene is sourced from PubChem (CID 50883691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).