4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one

C30H23N3O6 — CID 57392787

IUPAC4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESO=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
InChIInChI=1S/C30H23N3O6/c34-29-15-23(18-31-32-24-11-13-25(14-12-24)33(35)36)30-27(38-20-22-9-5-2-6-10-22)16-26(17-28(30)39-29)37-19-21-7-3-1-4-8-21/h1-18,32H,19-20H2/b31-18-
InChIKeyFACKVKIEOCXGFF-MNBJERMJSA-N
MW521.53 g/mol
LogP6.31
Rot. Bonds10

About 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one

4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one (PubChem CID 57392787) has the molecular formula C30H23N3O6 and a molecular weight of 521.53 g/mol. Its IUPAC name is 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one.

Molecular Properties

Compound Name4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one
PubChem CID57392787
Molecular FormulaC30H23N3O6
Molecular Weight521.53 g/mol
Exact Mass521.16
IUPAC Name4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESO=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
InChIInChI=1S/C30H23N3O6/c34-29-15-23(18-31-32-24-11-13-25(14-12-24)33(35)36)30-27(38-20-22-9-5-2-6-10-22)16-26(17-28(30)39-29)37-19-21-7-3-1-4-8-21/h1-18,32H,19-20H2/b31-18-
InChIKeyFACKVKIEOCXGFF-MNBJERMJSA-N
XLogP6.31
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.53
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The IUPAC name of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one (CID 57392787) is 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one.
What is the SMILES notation for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The canonical SMILES for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one is O=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1.
What is the InChIKey of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The InChIKey is FACKVKIEOCXGFF-MNBJERMJSA-N. The full InChI is InChI=1S/C30H23N3O6/c34-29-15-23(18-31-32-24-11-13-25(14-12-24)33(35)36)30-27(38-20-22-9-5-2-6-10-22)16-26(17-28(30)39-29)37-19-21-7-3-1-4-8-21/h1-18,32H,19-20H2/b31-18-.
What are the key properties of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one has a molecular weight of 521.53 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one is sourced from PubChem (CID 57392787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).