4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate

C19H11N2O4- — CID 7104549

IUPAC4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1[O-]
InChIInChI=1S/C19H12N2O4/c22-17-8-5-12(9-16(17)21(23)24)11-20-13-6-7-15-14-3-1-2-4-18(14)25-19(15)10-13/h1-11,22H/p-1/b20-11+
InChIKeyDDRQPEBYBNHDBR-RGVLZGJSSA-M
MW331.31 g/mol
LogP4.32
Rot. Bonds3

About 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate

4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate (PubChem CID 7104549) has the molecular formula C19H11N2O4- and a molecular weight of 331.31 g/mol. Its IUPAC name is 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate.

Molecular Properties

Compound Name4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate
PubChem CID7104549
Molecular FormulaC19H11N2O4-
Molecular Weight331.31 g/mol
Exact Mass331.07
IUPAC Name4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1[O-]
InChIInChI=1S/C19H12N2O4/c22-17-8-5-12(9-16(17)21(23)24)11-20-13-6-7-15-14-3-1-2-4-18(14)25-19(15)10-13/h1-11,22H/p-1/b20-11+
InChIKeyDDRQPEBYBNHDBR-RGVLZGJSSA-M
XLogP4.32
TPSA91.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine
CID 4529468
1-[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-N-dibenzofuran-3-ylmethanimine
CID 124529992
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine
CID 12703740
2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one
CID 10044638
N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine
CID 2368116
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine
CID 23967284
1-(4-bromo-3-nitrophenyl)-N-[2-(4-bromophenyl)-1,3-benzoxazol-6-yl]methanimine
CID 3538570
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
4-(dibenzofuran-3-yliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 3267631

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate?
The IUPAC name of 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate (CID 7104549) is 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate.
What is the SMILES notation for 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate?
The canonical SMILES for 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate is O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1[O-].
What is the InChIKey of 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate?
The InChIKey is DDRQPEBYBNHDBR-RGVLZGJSSA-M. The full InChI is InChI=1S/C19H12N2O4/c22-17-8-5-12(9-16(17)21(23)24)11-20-13-6-7-15-14-3-1-2-4-18(14)25-19(15)10-13/h1-11,22H/p-1/b20-11+.
What are the key properties of 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate?
4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate has a molecular weight of 331.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate is sourced from PubChem (CID 7104549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).